Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 11/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL10151024 | 0.82 | FYN (0.48) | CYP1A1CYP1A2CYP1B1KDM4EALDH1A1 | |
| SCHEMBL15384396 | 0.78 | KMO (0.50) | CYP1A1CYP1A2CYP1B1ECE1HCRTR1 | |
| SCHEMBL15384455 | 0.78 | ALDH1A1 (0.58) | CYP1A1CYP1A2CYP1B1KDM4EALDH1A1 | |
| SCHEMBL27409541 | 0.78 | ALDH1A1 (0.44) | CYP1A1CYP1A2CYP1B1ALDH1A1TSHR | |
| SCHEMBL7116113 | 0.77 | KMT2A (0.45) | ERN1CYP1A2KDM4EALDH1A1TSHR | |
| SCHEMBL7811998 | 0.76 | MAPT (0.64) | KDM4EALDH1A1TSHRECE1MAPT | |
| SCHEMBL21429287 | 0.76 | ERN1 (0.48) | ERN1 | |
| SCHEMBL4508073 | 0.75 | ERN1 (0.69) | ERN1KDM4EALDH1A1TSHRTDP1 | |
| SCHEMBL6091277 | 0.75 | ERN1 (0.68) | ERN1KDM4EALDH1A1TSHRTDP1 | |
| SCHEMBL30184034 | 0.74 | ALDH1A1 (0.46) | CYP1A1CYP1A2CYP1B1KDM4EALDH1A1 |
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 |