Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 8/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | STAT1 | P42224 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947277 | 0.98 | CYP2A6 (0.41) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL10334537 | 0.96 | CYP2A6 (0.40) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL6952322 | 0.94 | CYP2A6 (0.41) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL12105398 | 0.80 | HTR2C (0.50) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL9672219 | 0.76 | MAOA (0.46) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL25592162 | 0.75 | CYP2A6 (0.41) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL9670865 | 0.74 | MAOA (0.45) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL2149910 | 0.74 | CYP2A6 (0.54) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL6052782 | 0.73 | CYP2A6 (0.47) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 | |
| SCHEMBL9671842 | 0.73 | ACHE (0.38) | CYP2A6HSD17B10KDM4ECYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5665765-A | TREATMENT OF PARKINSON'S DISEASE, MEMORY DISORDERS, DISORDERS ASSOCIATED WITH DRUG ABUSE, DEPRESSION, AND PSYCHOTIC STATES | ADIR ET COMPAGNIE (FR) | 1997-09-09 | — | — | US | disclosed |