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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.45 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 6/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | LPL | P06858 | 1/20 | 0.45 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.45 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.45 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL8821250 | 0.79 | ACHE (0.80) | ACHETDP1CA2LPLLIPG | |
| P-Xylene SCHEMBL28206161 | 0.79 | ACHE (0.80) | ACHETDP1CA2LPLLIPG | |
| P-Xylene SCHEMBL460348 | 0.78 | ACHE (1.00) | ACHETDP1CA2LPLLIPG | |
| P-Xylene SCHEMBL771 | 0.78 | — | — | |
| P-Xylene SCHEMBL11772917 | 0.78 | ACHE (1.00) | ACHETDP1CA2LPLLIPG | |
| P-Xylene SCHEMBL11770184 | 0.78 | ACHE (1.00) | ACHETDP1CA2LPLLIPG | |
| P-Xylene SCHEMBL28196715 | 0.75 | ACHE (0.73) | ACHETDP1CA2LPLLIPG | |
| P-Cresol SCHEMBL585061 | 0.74 | — | — | |
| P-Xylene SCHEMBL1508153 | 0.74 | ACHE (0.89) | ACHETDP1CA2LPLLIPG | |
| P-Xylene SCHEMBL3847044 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7105690-B2 | Method for producing transition metal compounds and their use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20030191334-A1 | Method for producing transition metal compounds and their use for the polymerization of olefins | BASELL POLYPROPYLEN GMBH (DE) | 2003-10-09 | — | — | US | 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 (1 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-20030191334-A1 | Method for producing transition metal compounds and their use for the polymerization of olefins | PPOX, PORCN, FASN | CA2 2802/4885CA1 2422/4885ACHE 2983/4885 |
“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.