Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | PNMT | P11086 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL9587301 | 0.92 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4173183 | 0.83 | SIGMAR1 (0.78) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL4168906 | 0.82 | SIGMAR1 (0.76) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2854484 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18768854 | 0.79 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28128266 | 0.78 | SIGMAR1 (0.60) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27727190 | 0.78 | HTT (0.54) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2300678 | 0.77 | PNMT (0.69) | CYP1A2CYP2C19CYP3A4PNMTTAAR1 | |
| SCHEMBL27772541 | 0.77 | ESR1 (0.61) | CYP2C19PNMTTAAR1SIGMAR1IDO1 | |
| SCHEMBL151822 | 0.76 | LOXL2 (0.68) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 |
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-0854870-A4 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 1999-01-07 | — | — | EP | disclosed |
| EP-0854870-A1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | Merck & Co., Inc. (US) | 1998-07-29 | — | — | EP | disclosed |
| WO-1997012876-A1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO., INC. (US) | 1997-04-10 | — | — | WO | disclosed |