Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | CCR9 | P51686 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10537645 | 0.83 | ACHE (0.43) | TAAR1ACHEBCHEHDAC4HDAC2 | |
| SCHEMBL4564437 | 0.80 | TDP1 (0.46) | TAAR1ACHEBCHEHDAC4HDAC2 | |
| SCHEMBL2911870 | 0.80 | TAAR1 (0.67) | TAAR1KIF11HTR2AHTR2C | |
| SCHEMBL475557 | 0.80 | TDP1 (0.46) | TAAR1ACHEBCHEHDAC4HDAC2 | |
| SCHEMBL3119866 | 0.80 | TAAR1 (0.67) | TAAR1HDAC8HTR2AHTR2CHTR2B | |
| SCHEMBL23487459 | 0.79 | TAAR1 (0.43) | TAAR1ACHEBCHEHDAC4HDAC2 | |
| SCHEMBL6324150 | 0.79 | GABRA1 (0.42) | CYP2C19RXRARXRB | |
| SCHEMBL30573009 | 0.79 | KIF11 (0.49) | ACHEBCHEHDAC4HDAC2HDAC8 | |
| SCHEMBL1653927 | 0.79 | KIF11 (0.49) | ACHEBCHEHDAC4HDAC2HDAC8 | |
| SCHEMBL5433184 | 0.79 | ACHE (0.46) | TAAR1ACHEBCHEHDAC4HDAC2 |
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-5420343-A | ANTIINFLAMMATORY AGENTS; CYCLOOXYGENASE INHIBITORS | G. D. SEARLE & CO. (US) | 1995-05-30 | — | — | US | disclosed |
| US-4178327-A | FIREPROOFING | THE DOW CHEMICAL COMPANY (US) | 1979-12-11 | — | — | US | disclosed |