Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | EPOR | P19235 | 9/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447767 | 1.00 | ALDH1A1 (0.52) | ALDH1A1EPORNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7455621 | 0.84 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL7450350 | 0.84 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL7454928 | 0.83 | HRH3 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL8193049 | 0.82 | CTSS (0.48) | ALDH1A1TACR2 | |
| SCHEMBL7365328 | 0.79 | NPC1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL7341842 | 0.79 | NPC1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL7371156 | 0.78 | HTT (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2EGFR | |
| SCHEMBL7446328 | 0.78 | AKT1 (0.60) | TACR2 | |
| SCHEMBL7344798 | 0.76 | TACR2 (0.53) | NPC1RAB9ASMN1; SMN2TACR2 |
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-6180677-B1 | ANTIEPILEPSY AGENT | WARNER-LAMBERT COMPANY | 2001-01-30 | — | — | US | claimed |
| WO-2000006535-A1 | TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2000-02-10 | — | — | WO | claimed |
| US-6323243-B1 | AROMATIC ETHER WITH AMINE OR AMIDE GROUPS | WARNER-LAMBERT COMPANY | 2001-11-27 | — | — | US | disclosed |
| US-6180677-B1 | ANTIEPILEPSY AGENT | WARNER-LAMBERT COMPANY | 2001-01-30 | — | — | US | disclosed |
| WO-2000006535-A1 | TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |