Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8969457 | 0.78 | DRD1 (0.33) | DRD1HTR1A | |
| SCHEMBL8969085 | 0.75 | NPC1 (0.34) | DRD1ACHEALDH1A1CYP3A4 | |
| SCHEMBL8968431 | 0.66 | ACHE (0.45) | DRD1HTR1AACHEALDH1A1CYP3A4 | |
| SCHEMBL8968295 | 0.65 | ACHE (0.47) | DRD1HTR1AACHEALDH1A1CYP3A4 | |
| SCHEMBL8969179 | 0.65 | KDM4E (0.34) | ALDH1A1 | |
| SCHEMBL8968644 | 0.63 | DRD1 (0.33) | DRD1HTR1AACHEALDH1A1CYP1A2 | |
| SCHEMBL8969427 | 0.63 | KDM4E (0.35) | ALDH1A1 | |
| SCHEMBL8970445 | 0.62 | KDM4E (0.34) | ALDH1A1 | |
| SCHEMBL10534830 | 0.61 | PDE3B (0.35) | — | |
| SCHEMBL8969712 | 0.61 | KDM4E (0.32) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5486512-A | LEARNING ENHANCEMENT | WARNER-LAMBERT COMPANY (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1993003034-A1 | QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1993-02-18 | — | — | WO | disclosed |