Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | CUL4A | Q13619 | 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 | |
|---|---|---|---|---|
| SCHEMBL31126004 | 0.82 | ESR1 (0.32) | ESR1ESR2 | |
| SCHEMBL954647 | 0.78 | ALDH1A1 (0.39) | ALDH1A1GAACYP2C9CYP2C19CES2 | |
| SCHEMBL7956277 | 0.78 | IDO1 (0.38) | ALDH1A1GAACYP2C9ESR1ESR2 | |
| SCHEMBL31158379 | 0.73 | ALDH1A1 (0.36) | ALDH1A1GAACYP2C9CYP2C19CES2 | |
| SCHEMBL20534566 | 0.71 | ALDH1A1 (0.51) | ALDH1A1GAACYP2C9CYP2C19RIPK1 | |
| SCHEMBL19262108 | 0.70 | CES2 (0.39) | ALDH1A1CES2CES1DRD2HTR2A | |
| SCHEMBL19716865 | 0.70 | TSHR (0.46) | ALDH1A1GAACYP2C9CYP2C19CES2 | |
| SCHEMBL6906077 | 0.70 | TSHR (0.46) | ALDH1A1GAACYP2C9CYP2C19CES2 | |
| SCHEMBL807528 | 0.69 | TSHR (0.39) | ALDH1A1GAACYP2C9CYP2C19CES2 | |
| SCHEMBL807556 | 0.69 | CES2 (0.41) | CES2CES1HTR2AACHE |
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-6265439-B1 | Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives | G.D. SEARLE & CO. | 2001-07-24 | — | — | US | disclosed |
| US-5451604-A | Useful in organ transplant surgery | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |