Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2717078 | 1.00 | TAAR1 (0.41) | TAAR1IDO1APOBEC3GCHRNEHPGD | |
| SCHEMBL15390567 | 0.83 | APOBEC3G (0.44) | APOBEC3GCHRNEHPGDPDCD1CD274 | |
| SCHEMBL14354164 | 0.79 | TAAR1 (0.48) | TAAR1IDO1ALDH1A1MPOSLC6A4 | |
| SCHEMBL11144300 | 0.77 | GABRA1 (0.44) | TAAR1IDO1HPGDALDH1A1AOC3 | |
| SCHEMBL20822096 | 0.77 | TAAR1 (0.41) | TAAR1IDO1HPGDALDH1A1AOC3 | |
| Hydrochloric Acid SCHEMBL14354512 | 0.77 | TAAR1 (0.46) | TAAR1IDO1MPOSLC6A4AOC3 | |
| SCHEMBL29061361 | 0.77 | IDO1 (0.46) | TAAR1IDO1ALDH1A1MPO | |
| SCHEMBL112270 | 0.76 | CES2 (0.43) | TAAR1IDO1APOBEC3GPDCD1CD274 | |
| SCHEMBL720119 | 0.76 | CYP3A4 (0.43) | IDO1APOBEC3GCHRNEHPGDPDCD1 | |
| SCHEMBL20465748 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4313041-A1 | NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Novartis AG (CH) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022204336-A1 | NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B | NOVARTIS AG (CH) | 2022-09-29 | — | — | WO | disclosed |