Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.33 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11807550 | 0.84 | OPRM1 (0.35) | RAB9ACYP1A2CYP2D6CYP2C19APP | |
| SCHEMBL11578654 | 0.81 | RAB9A (0.40) | DRD4RAB9ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11050805 | 0.81 | IDH2 (0.39) | DRD4RAB9ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11819842 | 0.79 | ALDH1A1 (0.51) | TP53MAPTHTT | |
| SCHEMBL13880194 | 0.76 | IDO1 (0.40) | DRD4RAB9ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11277932 | 0.76 | ALDH1A1 (0.40) | RAB9AALOX15 | |
| SCHEMBL11807443 | 0.73 | AR (0.49) | AR | |
| SCHEMBL11819046 | 0.73 | MEN1 (0.47) | KDM4EHTT | |
| SCHEMBL9229437 | 0.73 | APP (0.49) | DRD4IDH2ALOX15APPP2RY1 | |
| SCHEMBL30603334 | 0.73 | SMN1; SMN2 (0.46) | RAB9ACYP1A2CYP2D6CYP2C19IDH2 |
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-3996232-A | ANTIULCER AGENTS | WILLIAM H. RORER, INC. (US) | 1976-12-07 | — | — | US | claimed |
| US-3996232-A | ANTIULCER AGENTS | WILLIAM H. RORER, INC. (US) | 1976-12-07 | — | — | US | disclosed |