Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL7440360 | 0.78 | HSD11B1 (0.34) | TSHRCXCR2HSD11B1MEN1NPC1 | |
| SCHEMBL7451510 | 0.74 | GPR84 (0.47) | TSHRSMN1; SMN2GPR84 | |
| SCHEMBL5255061 | 0.73 | GPR84 (0.43) | HSD11B1MAPTGPR84 | |
| SCHEMBL7443793 | 0.72 | TSHR (0.49) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL1844110 | 0.70 | CA1 (0.38) | SMN1; SMN2CXCR2HSD11B1CXCR1MEN1 | |
| SCHEMBL7449008 | 0.68 | TSHR (0.43) | TSHRSMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL5184387 | 0.66 | DAO (0.44) | SMN1; SMN2MEN1KMT2AGPR84MMP1 | |
| SCHEMBL5233961 | 0.64 | CXCR2 (0.41) | CXCR2HSD11B1CXCR1KMT2AALDH1A1 | |
| SCHEMBL491756 | 0.64 | HSP90AB1 (0.49) | TSHRSMN1; SMN2CXCR2HSD11B1CXCR1 | |
| SCHEMBL926505 | 0.63 | CA2 (0.41) | CXCR2HSD11B1CXCR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |