Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8535642 | 0.81 | CYP19A1 (0.58) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL29601990 | 0.80 | CYP19A1 (0.54) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL31374633 | 0.79 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL6644734 | 0.79 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL11842381 | 0.77 | CYP19A1 (0.55) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL11734950 | 0.76 | CYP19A1 (0.59) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL7311311 | 0.74 | CYP19A1 (0.56) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL6631961 | 0.73 | MTNR1A (0.60) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL8536795 | 0.73 | CYP19A1 (0.54) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9431516 | 0.73 | CYP19A1 (0.56) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0581677-B1 | Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy | JOUVEINAL INST RECH (FR) | 1997-01-08 | — | — | EP | disclosed |
| US-5326784-A | Psychological and gastrointestinal disorders | INSTITUT DE RECHERCHE JOUVEINAL (FR) | 1994-07-05 | — | — | US | disclosed |
| EP-0581677-A1 | Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy | INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) | 1994-02-02 | — | — | EP | disclosed |