Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4599210 | 0.87 | ALDH1A1 (0.48) | ALOX5ALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8805740 | 0.86 | MAPK1 (0.48) | ALOX5ALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL4687956 | 0.80 | ALOX5 (0.50) | ALOX5ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4692248 | 0.77 | ALOX5 (0.47) | ALOX5LMNA | |
| SCHEMBL9719340 | 0.74 | GSK3B (0.51) | ALOX5SMN1; SMN2CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL9719345 | 0.74 | ROCK2 (0.51) | ALOX5ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL9389645 | 0.72 | ALOX5 (0.41) | ALOX5ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27753786 | 0.72 | ALOX5 (0.47) | ALOX5ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL9138618 | 0.71 | MGLL (0.46) | ALDH1A1KDM4ESMN1; SMN2SLC6A2MGLL | |
| SCHEMBL9288404 | 0.71 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0241006-B1 | 3,3-DISUBSTITUTED INDOLINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-02-28 | — | — | EP | claimed |
| WO-1992000760-A1 | METHOD OF TREATING NEUROLOGICAL DYSFUNCTION USING NEUROTRANSMITTER ENHANCES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-01-23 | — | — | WO | disclosed |