Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | LIPA | P38571 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL1224979 | 0.80 | MAPT (0.39) | THRATHRBCNR2ALDH1A1 | |
| SCHEMBL9939580 | 0.77 | THRA (0.40) | THRATHRBLIPACNR2MMP1 | |
| SCHEMBL16369980 | 0.77 | THRA (0.40) | THRATHRBLIPACNR2MMP1 | |
| SCHEMBL4716172 | 0.77 | THRA (0.40) | THRATHRBLIPACNR2MMP1 | |
| SCHEMBL16369978 | 0.75 | THRA (0.35) | THRATHRBDGAT1TDP1EPHX2 | |
| SCHEMBL28976488 | 0.73 | THRA (0.35) | THRATHRBLIPATDP1 | |
| SCHEMBL21585916 | 0.73 | — | — | |
| SCHEMBL20241792 | 0.72 | THRA (0.37) | THRATHRBMMP1MMP9MMP13 | |
| SCHEMBL1226275 | 0.72 | THRA (0.38) | THRATHRBALDH1A1 | |
| SCHEMBL30281253 | 0.71 | TDP1 (0.38) | THRATHRBLIPACNR2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| 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 |