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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.41 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11281728 | 0.84 | MEN1 (0.50) | MEN1KMT2AMAPTGAATDP1 | |
| SCHEMBL5094475 | 0.78 | MEN1 (0.60) | MEN1KMT2AMAPTGAATDP1 | |
| SCHEMBL11848042 | 0.77 | ALDH1A1 (0.41) | MEN1KMT2AGAATSHRPOLB | |
| SCHEMBL5089790 | 0.77 | MEN1 (0.58) | MEN1KMT2AMAPTGAATDP1 | |
| SCHEMBL10862444 | 0.74 | ALDH1A1 (0.50) | MEN1KMT2AMAPTGAATDP1 | |
| SCHEMBL5768033 | 0.74 | MEN1 (0.55) | MEN1KMT2AMAPTGAATDP1 | |
| Lithium Ion SCHEMBL11854850 | 0.74 | ALDH1A1 (0.41) | MEN1KMT2AGAATSHRPOLB | |
| SCHEMBL398239 | 0.73 | MEN1 (0.54) | MEN1KMT2AMAPTGAATDP1 | |
| SCHEMBL11688818 | 0.71 | MEN1 (0.47) | MEN1KMT2AMAPTGAATDP1 | |
| SCHEMBL9094971 | 0.70 | MEN1 (0.54) | MEN1KMT2AMAPTGAATDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4352800-A | ANTIBIOTICS, BLOOD | KYOTO YAKUHIN KYOGO KABUSHIKI KAISHA (JP) | 1982-10-05 | — | — | US | disclosed |
| US-4277465-A | ENAMINE DERIVATIVE | KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1981-07-07 | — | — | US | disclosed |
| EP-0009609-A2 | Adjuvant for promoting absorption of therapeutically active substances through the digestive tract, pharmaceutical composition comprising said adjuvant and process for preparing said pharmaceutical composition; enamine derivatives | KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1980-04-16 | — | — | EP | disclosed |