Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 |
| ▸ | CXCR2 | P25025 | 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 | |
|---|---|---|---|---|
| SCHEMBL7445972 | 0.78 | TSHR (0.38) | HSD11B1TSHRMEN1NPC1RAB9A | |
| SCHEMBL7454496 | 0.76 | TSHR (0.39) | TSHRMEN1NPC1RAB9AKMT2A | |
| SCHEMBL7214201 | 0.74 | ALDH1A1 (0.34) | HSD11B1TSHRNPC1KMT2ACXCR2 | |
| SCHEMBL7445721 | 0.68 | TSHR (0.40) | TSHRMEN1NPC1RAB9AKMT2A | |
| SCHEMBL7451510 | 0.63 | GPR84 (0.47) | TSHR | |
| SCHEMBL7440362 | 0.62 | MAPK1 (0.38) | TSHRNPC1KMT2A | |
| SCHEMBL1056005 | 0.62 | HSD11B1 (0.43) | HSD11B1TSHRKMT2A | |
| SCHEMBL7214195 | 0.61 | ALDH1A1 (0.42) | TSHRMEN1RAB9AKMT2A | |
| SCHEMBL7445980 | 0.61 | HSD17B10 (0.42) | TSHRKMT2A | |
| SCHEMBL7443793 | 0.61 | TSHR (0.49) | TSHRMEN1NPC1RAB9AKMT2A |
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 |