Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 9/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 3/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | TEC | P42680 | 1/20 | 0.32 |
| ▸ | TXK | P42681 | 1/20 | 0.32 |
| ▸ | BMX | P51813 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL7322304 | 0.65 | NPC1 (0.55) | F2PRSS1 | |
| SCHEMBL593548 | 0.63 | MEN1 (0.43) | ALDH1A1GAA | |
| SCHEMBL12125762 | 0.60 | IDO1 (0.33) | — | |
| SCHEMBL28047424 | 0.59 | TGM2 (0.59) | TGM2ALDH1A1GSTO1 | |
| SCHEMBL10699443 | 0.59 | TIMP3 (0.47) | TGM2ALDH1A1GAAGSTO1 | |
| SCHEMBL23226695 | 0.57 | GAA (0.44) | TGM2ALDH1A1GAAHSD17B2GSTO1 | |
| SCHEMBL11671246 | 0.57 | FFAR4 (0.51) | ALDH1A1GAA | |
| SCHEMBL9132317 | 0.57 | TSHR (0.57) | GAAHTT | |
| SCHEMBL28406180 | 0.57 | TSHR (0.65) | ALDH1A1GAAHTT | |
| SCHEMBL11143174 | 0.56 | TGM2 (0.66) | TGM2ALDH1A1GAAGSTO1BRD4 |
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-5744486-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1998-04-28 | — | — | US | disclosed |
| US-5668289-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| WO-1997001338-A1 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-01-16 | — | — | WO | disclosed |