Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7591958 | 0.82 | ALDH1A1 (0.46) | CASP1HSD17B10ALDH1A1TSHRKDM4E | |
| SCHEMBL7587116 | 0.81 | ALDH1A1 (0.44) | CASP1HSD17B10ALDH1A1TSHRKDM4E | |
| SCHEMBL28873195 | 0.80 | CASP1 (0.48) | CASP1HSD17B10ALDH1A1KDM4EPDE4A | |
| SCHEMBL31738417 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL4186655 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL7591252 | 0.76 | ALDH1A1 (0.44) | CASP1HSD17B10ALDH1A1TSHRKDM4E | |
| SCHEMBL7614307 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL7133759 | 0.75 | ALDH1A1 (0.48) | HSD17B10ALDH1A1TSHRKDM4ETDP1 | |
| SCHEMBL7616411 | 0.75 | ALDH1A1 (0.48) | HSD17B10ALDH1A1TSHRKDM4ETDP1 | |
| SCHEMBL7588840 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4ETDP1TUBB1 |
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-0780375-B1 | 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists | PFIZER (US) | 2002-09-11 | — | — | EP | disclosed |
| US-5789423-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS | PFIZER INC. (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0780375-A1 | 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists | PFIZER INC. (US) | 1997-06-25 | — | — | EP | disclosed |