Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.67 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.67 |
| ▸ | TTR | P02766 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.52 |
| ▸ | ALOX15B | O15296 | 3/20 | 0.52 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19409317 | 0.88 | ESR2 (0.67) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL936495 | 0.82 | ESR2 (0.65) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL29467332 | 0.82 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL2002128 | 0.82 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL43648 | 0.82 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL677723 | 0.82 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL43647 | 0.82 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL38662450 | 0.81 | ESR1 (0.76) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL12914761 | 0.81 | ESR1 (0.76) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL936521 | 0.81 | ESR2 (0.75) | ESR2ESR1TTRALOX15ALOX12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10577315-B2 | Compositions and methods for treatment of prostate carcinoma | PELLFICURE PHARMACEUTICALS, INC. (US) | 2020-03-03 | — | — | US | disclosed |
| EP-3528799-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1, 4-DIONE | Pellficure Pharmaceuticals, Inc. (US) | 2019-08-28 | — | — | EP | disclosed |
| US-20190169122-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | PELLFICURE PHARMACEUTICALS | 2019-06-06 | — | — | US | disclosed |
| US-10093620-B2 | Compositions and methods for treatment of prostate carcinoma | PELLFICURE PHARMACEUTICALS, INC. (US) | 2018-10-09 | — | — | US | disclosed |
| US-20180221306-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1,4-DIONE | PELLFICURE PHARMACEUTICALS, INC. | 2018-08-09 | — | — | US | disclosed |
| WO-2018080933-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1, 4-DIONE | PELLFICURE PHARMACEUTICALS INC. (US) | 2018-05-03 | — | — | WO | disclosed |
| US-20170283374-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | PELLFICURE PHARMACEUTICALS, INC. | 2017-10-05 | — | — | US | disclosed |
| EP-3191087-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | Pellficure Pharmaceuticals, Inc. (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016040896-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | PELLFICURE PHARMACEUTICALS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10093620-B2 | Compositions and methods for treatment of prostate carcinoma | KLK3, ACP3, NR5A1 | ESR2 223/4885PTGS2 506/4885ESR1 454/4885 |
| US-20190169122-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | KLK3, ACP3, NR5A1 | ESR2 223/4885PTGS2 506/4885ESR1 454/4885 |
| US-20180221306-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1,4-DIONE | DHPS, SRD5A2, SRD5A1 | ESR2 2002/4885PTGS2 476/4885ESR1 2341/4885 |
| US-20170283374-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | KLK3, ACP3, NR5A1 | ESR2 223/4885PTGS2 506/4885ESR1 454/4885 |
| US-10577315-B2 | Compositions and methods for treatment of prostate carcinoma | KLK3, ACP3, NR5A1 | ESR2 223/4885PTGS2 506/4885ESR1 454/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.