Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 5/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL11255617 | 0.99 | DRD2 (0.39) | DRD2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11258507 | 0.94 | SMN1; SMN2 (0.39) | SMN1; SMN2NPC1ALDH1A1HPGDNFKB1 | |
| SCHEMBL11256220 | 0.87 | EPHX2 (0.41) | DRD2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11256981 | 0.80 | SMN1; SMN2 (0.41) | CYP2D6CYP2C9SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL11265320 | 0.80 | HTR2C (0.41) | DRD2SMN1; SMN2NPC1ALDH1A1HPGD | |
| SCHEMBL11262480 | 0.79 | HTR2C (0.40) | SMN1; SMN2NPC1ALDH1A1HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL11254022 | 0.78 | RAD52 (0.41) | SMN1; SMN2NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL11266562 | 0.76 | DRD2 (0.39) | DRD2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11257441 | 0.73 | HTR2C (0.39) | DRD2KCNH2SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL11265827 | 0.73 | HTR2C (0.39) | DRD2SMN1; SMN2NPC1ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4344946-A | ANTIARTHRITICS, ANTIRHEUMATICS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-08-17 | — | — | US | disclosed |