Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GSR | P00390 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6848933 | 0.87 | TNF (0.40) | KDM4EALDH1A1MAPTPOLBTSHR | |
| SCHEMBL7140320 | 0.84 | F2 (0.47) | KMT2AMEN1TPSAB1F2F7 | |
| SCHEMBL7139994 | 0.83 | HSD17B10 (0.48) | HSD17B10CYP1A2CYP2C9HPGDKDM4E | |
| SCHEMBL7139116 | 0.75 | KDM4E (0.45) | HSD17B10CYP1A2CYP2C9HPGDKDM4E | |
| SCHEMBL21248447 | 0.71 | PDE4D (0.37) | ALDH1A1TPSAB1POLB | |
| SCHEMBL3247710 | 0.70 | P2RX7 (0.43) | CYP1A2CYP2C9CYP2C19ALDH1A1MAPT | |
| SCHEMBL6849033 | 0.70 | TNF (0.45) | KDM4EALDH1A1KMT2AMEN1POLB | |
| SCHEMBL3247707 | 0.69 | F2 (0.60) | TPSAB1F2F7F3PRSS1 | |
| SCHEMBL12636632 | 0.67 | ALDH1A1 (0.48) | HSD17B10CYP1A2CYP2C9HPGDKDM4E | |
| SCHEMBL3240576 | 0.67 | MEN1 (0.44) | CYP1A2CYP2C9HPGDKDM4ECYP2C19 |
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-6506761-B1 | Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6506760-B1 | Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| WO-2001079193-A2 | SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |