Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CTSC | P53634 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547645 | 0.89 | HTR2C (0.42) | TDP1HTR2CHTR2BCTSCELANE | |
| SCHEMBL11549712 | 0.87 | HTR2C (0.44) | TDP1HTR2CHTR2BCTSCELANE | |
| SCHEMBL474619 | 0.86 | HTR2C (0.47) | HTR2CHTR2BCTSCELANETSHR | |
| SCHEMBL28274418 | 0.85 | HTR2C (0.46) | HTR2CHTR2BCTSCELANETSHR | |
| SCHEMBL10597769 | 0.83 | TSHR (0.44) | HTR2CHTR2BCTSCELANETSHR | |
| SCHEMBL11549982 | 0.83 | HTR2C (0.42) | HTR2CHTR2BCTSCRECQLTSHR | |
| SCHEMBL11153901 | 0.83 | KMT2A (0.47) | TDP1HTR2CHTR2BCTSCELANE | |
| SCHEMBL11509964 | 0.82 | TSHR (0.42) | HTR2CHTR2BCTSCELANETSHR | |
| SCHEMBL7386495 | 0.82 | CYP2C19 (0.42) | HTR2CHTR2BCTSCELANETSHR | |
| SCHEMBL28089040 | 0.82 | HTR2C (0.49) | HTR2CHTR2BCTSCELANERECQL |
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-0772590-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| US-5714485-A | Piperidine and hexahydropyridazine thrombin inhibitors | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5510369-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |