Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | ELANE | P08246 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 8/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9879071 | 0.87 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP3A4ELANETSHR | |
| SCHEMBL28005845 | 0.86 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4ELANEACHE | |
| SCHEMBL9879947 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4ELANEMAPK1 | |
| SCHEMBL9878499 | 0.84 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP3A4ELANEACHE | |
| SCHEMBL9877831 | 0.84 | HTR1A (0.50) | ALDH1A1CYP1A2CYP3A4ELANEACHE | |
| SCHEMBL9879097 | 0.83 | ELANE (0.58) | ALDH1A1CYP1A2CYP3A4ELANETSHR | |
| SCHEMBL27820157 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4ELANEACHE | |
| SCHEMBL16226679 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4ELANEMAPK1 | |
| SCHEMBL9878587 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP3A4ELANETSHR | |
| SCHEMBL16226825 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4ELANETSHR |
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-4966918-A | ANTICARCINOGENIC AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-10-30 | — | — | US | claimed |
| WO-1990008759-A1 | DERIVATIVES OF CHRYSOPHANOL | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-08-09 | — | — | WO | claimed |
| US-5053431-A | Antitumor-anticarcinogenic agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1991-10-01 | — | — | US | disclosed |
| US-4966918-A | ANTICARCINOGENIC AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-10-30 | — | — | US | disclosed |
| WO-1990008759-A1 | DERIVATIVES OF CHRYSOPHANOL | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-08-09 | — | — | WO | disclosed |