Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7901180 | 0.97 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Benzene SCHEMBL515817 | 0.97 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Benzene SCHEMBL28051358 | 0.93 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Benzene SCHEMBL11653237 | 0.93 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Butyl Alcohol SCHEMBL28251078 | 0.89 | — | — | |
| Butyl Alcohol SCHEMBL502753 | 0.89 | — | — | |
| Butyl Alcohol SCHEMBL48476 | 0.89 | — | — | |
| Butyl Alcohol SCHEMBL11880049 | 0.89 | — | — | |
| 1-Hexanol SCHEMBL825298 | 0.88 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| Benzene SCHEMBL10475772 | 0.88 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0375439-B1 | Geminal diphenyl derivatives and their use in immunoassays | SYNTEX INC (US) | 1995-09-06 | — | — | EP | disclosed |
| US-5378636-A | M-phenoxybenzoylaminoethanesulfonic acid to inactivate interfering binding proteins in immunoassay | SYNTEX (U.S.A.) INC. (US) | 1995-01-03 | — | — | US | disclosed |
| US-5256575-A | For inactivating interfering binding proteins | SYNTEX (U.S.A.) INC. (US) | 1993-10-26 | — | — | US | disclosed |
| EP-0375439-A2 | Geminal diphenyl derivatives and their use in immunoassays | SYNTEX (U.S.A.) INC. (US) | 1990-06-27 | — | — | EP | disclosed |