Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9747692 | 0.99 | ALDH1A1 (0.50) | ALDH1A1MAPTADORA3XDHLMNA | |
| SCHEMBL10922397 | 0.92 | CYP2C19 (0.44) | ALDH1A1MAPTXDHLMNAHPGD | |
| Hydrochloric Acid SCHEMBL7291893 | 0.90 | CYP2C19 (0.43) | ALDH1A1MAPTXDHLMNAHPGD | |
| Bromide SCHEMBL7142006 | 0.90 | CYP2C19 (0.43) | ALDH1A1MAPTXDHLMNAHPGD | |
| SCHEMBL8804527 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPTADORA3XDHLMNA | |
| SCHEMBL7318656 | 0.86 | ALDH1A1 (0.51) | ALDH1A1MAPTADORA3XDHLMNA | |
| SCHEMBL10924999 | 0.78 | CYP2C19 (0.45) | ALDH1A1MAPTXDHLMNAHPGD | |
| SCHEMBL3785984 | 0.77 | GAA (0.47) | ALDH1A1MAPTXDHLMNAHPGD | |
| SCHEMBL10844976 | 0.72 | DRD2 (0.54) | ALDH1A1MAPTLMNAKDM4ENPC1 | |
| SCHEMBL10842334 | 0.72 | ALDH1A1 (0.58) | ALDH1A1MAPTLMNAHPGDKDM4E |
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-4804663-A | PSYCHOLOGICAL DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-02-14 | — | — | US | disclosed |
| EP-0196132-A2 | 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-10-01 | — | — | EP | disclosed |