Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 2/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940113 | 0.77 | NOTUM (0.41) | CACNA1HNOTUMTPMTACHECES2 | |
| SCHEMBL6838138 | 0.74 | RARG (0.39) | MCL1TPMTCYP3A4 | |
| SCHEMBL8110643 | 0.74 | TPMT (0.45) | CFTRNOTUMTPMTCYP1A2CYP3A4 | |
| SCHEMBL22114934 | 0.72 | HSD17B10 (0.44) | NOTUMCES2TMPRSS4CYP2C19 | |
| SCHEMBL7882956 | 0.71 | CES2 (0.35) | CACNA1HNOTUMCES2 | |
| SCHEMBL30343770 | 0.70 | NOTUM (0.50) | CFTRNOTUMCES2TMPRSS4NPSR1 | |
| SCHEMBL12247362 | 0.70 | CES2 (0.41) | CFTRNOTUMCES2TMPRSS4CYP1A2 | |
| SCHEMBL2124474 | 0.70 | PTGS2 (0.35) | TPMTCYP3A4 | |
| SCHEMBL15743685 | 0.70 | RAPGEF4 (0.39) | NOTUMACHECES2NFE2L2RAB9A | |
| SCHEMBL23301654 | 0.69 | ALDH1A1 (0.35) | CACNA1HCFTRCES2 |
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-6326517-B1 | REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-12-04 | — | — | US | disclosed |
| US-6268527-B1 | REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-07-31 | — | — | US | disclosed |