Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8327892 | 1.00 | AKR1C3 (0.50) | AKR1C3AKR1C1TACR1FFAR1HDAC4 | |
| SCHEMBL22830852 | 0.89 | AKR1C3 (0.43) | AKR1C3AKR1C1TACR1HDAC4MEN1 | |
| SCHEMBL22492144 | 0.89 | AKR1C3 (0.43) | AKR1C3AKR1C1TACR1HDAC4MEN1 | |
| SCHEMBL22830919 | 0.89 | AKR1C3 (0.43) | AKR1C3AKR1C1TACR1HDAC4MEN1 | |
| SCHEMBL29599708 | 0.89 | AKR1C3 (0.43) | AKR1C3AKR1C1TACR1HDAC4MEN1 | |
| SCHEMBL5219892 | 0.84 | GRM2 (0.41) | TACR1MEN1KMT2A | |
| SCHEMBL5140866 | 0.84 | GRM2 (0.41) | TACR1MEN1KMT2A | |
| SCHEMBL6493477 | 0.84 | GRM2 (0.41) | TACR1MEN1KMT2A | |
| SCHEMBL1276268 | 0.84 | GRM2 (0.41) | TACR1MEN1KMT2A | |
| SCHEMBL13677469 | 0.84 | GRM2 (0.41) | TACR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |