Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2339911 | 0.79 | ALDH1A1 (0.38) | IDO1TDO2ALDH1A1MEN1KMT2A | |
| SCHEMBL8751146 | 0.78 | ESR1 (0.43) | ALDH1A1MEN1KMT2ACYP3A4MAPT | |
| SCHEMBL7966558 | 0.78 | ALDH1A1 (0.37) | ALDH1A1CYP2C9GAACES2CES1 | |
| SCHEMBL10635042 | 0.76 | ALDH1A1 (0.44) | IDO1TDO2ALDH1A1CYP3A4MAPT | |
| SCHEMBL10637927 | 0.76 | IDO1 (0.38) | IDO1TDO2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL10635074 | 0.74 | CA1 (0.44) | IDO1TDO2ALDH1A1MEN1KMT2A | |
| SCHEMBL10638087 | 0.73 | MAP2K1 (0.35) | ALDH1A1CYP3A4MAPTKDM4EESR1 | |
| SCHEMBL11545332 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2C9 | |
| SCHEMBL11566406 | 0.73 | ALDH1A1 (0.35) | IDO1TDO2ALDH1A1MEN1KMT2A | |
| SCHEMBL4910575 | 0.72 | IDO1 (0.37) | IDO1TDO2ALDH1A1MEN1KMT2A |
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 |