Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 6/20 | 0.52 |
| ▸ | NOS3 | P29474 | 3/20 | 0.52 |
| ▸ | NOS1 | P29475 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678477 | 1.00 | TSHR (0.55) | TSHRMEN1KMT2AGAANOS2 | |
| SCHEMBL23551731 | 0.87 | TSHR (0.50) | TSHRMEN1KMT2AGAANOS2 | |
| SCHEMBL20134406 | 0.84 | TSHR (0.48) | TSHRMEN1KMT2AGAANOS2 | |
| SCHEMBL8283148 | 0.84 | TSHR (0.48) | TSHRMEN1KMT2AGAANOS2 | |
| SCHEMBL14847452 | 0.84 | PPARG (0.52) | TSHRMEN1KMT2AGAATRPA1 | |
| SCHEMBL5546946 | 0.84 | ESR1 (0.65) | TSHRKMT2AGAACA12CA7 | |
| SCHEMBL13534766 | 0.84 | ESR1 (0.47) | ESR1ESR2HTTLMNA | |
| SCHEMBL14590363 | 0.84 | ATM (0.50) | HPGDESR1ESR2 | |
| SCHEMBL15314148 | 0.84 | ESR1 (0.65) | TSHRKMT2AGAACA12CA7 | |
| SCHEMBL14564293 | 0.84 | ATM (0.50) | HPGDESR1ESR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5854237-A | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0885220-A1 | TROPANE-DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1998-12-23 | — | — | EP | disclosed |
| US-5843944-A | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-12-01 | — | — | US | disclosed |
| US-5733905-A | CONGESTIVE HEART FAILURE; KIDNEY DISORDERS | AMERICAN CYANAMID COMPANY (US) | 1998-03-31 | — | — | US | disclosed |
| WO-1997030997-A1 | TROPANE-DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1997-08-28 | — | — | WO | disclosed |