Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | TNF | P01375 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30732664 | 0.87 | CYP2A6 (0.58) | RPS6KA3ALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL22236422 | 0.81 | RPS6KA3 (0.50) | RPS6KA3MAOAMAOB | |
| SCHEMBL29153269 | 0.81 | RPS6KA3 (0.70) | RPS6KA3ALOX5CYP3A4SLC22A12 | |
| SCHEMBL31359603 | 0.80 | ALDH1A1 (0.57) | RPS6KA3ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL12023184 | 0.80 | IDO1 (0.48) | RPS6KA3ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL21692148 | 0.79 | RPS6KA3 (0.59) | RPS6KA3ALDH1A1TNFNOTUMCYP1A2 | |
| SCHEMBL8716812 | 0.79 | RPS6KA3 (0.65) | RPS6KA3ALDH1A1TNFNOTUMCYP1A2 | |
| SCHEMBL21692174 | 0.79 | RPS6KA3 (0.59) | RPS6KA3ALDH1A1TNFNOTUMCYP1A2 | |
| SCHEMBL6160894 | 0.79 | RPS6KA3 (0.57) | RPS6KA3ALDH1A1HPGDHSD17B10BACE1 | |
| SCHEMBL28114956 | 0.77 | RPS6KA3 (0.62) | RPS6KA3ALDH1A1HPGDHSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113009122-B | Methods and systems for determining the risk of autism spectrum disorder | 美国控股实验室公司 | 2025-01-17 | — | — | CN | disclosed |
| EP-0944626-A4 | TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS | UNIV GEORGETOWN (US) | 2002-09-04 | — | — | EP | disclosed |
| US-6350758-B1 | NOVEL ANALOGS OF COCAINE, ENHANCED ANALGESIC AND/OR VASOCONSTRICTIVE PROPERTIES, INHIBIT THE UPTAKE OF DOPAMINE OR SEROTONIN SO USEFUL FOR TREATING PARKINSON'S DISEASE, DEPRESSION, OR OBESITY, TREATING COCAINE ABUSE, COCAINE | GEORGETOWN UNIVERSITY | 2002-02-26 | — | — | US | disclosed |
| EP-0944626-A1 | TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS | GEORGETOWN UNIVERSITY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998024788-A1 | TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS | GEORGETOWN UNIVERSITY (US) | 1998-06-11 | — | — | WO | disclosed |