Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL29132456 | 0.94 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C19TAAR1KDM4E | |
| SCHEMBL10547018 | 0.80 | KMT2A (0.59) | KDM4ESIGMAR1MEN1KMT2A | |
| SCHEMBL29132455 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP2C19TAAR1KDM4E | |
| SCHEMBL6183546 | 0.78 | CYP1A2 (0.76) | CYP1A2CYP2D6CYP2C19TAAR1KDM4E | |
| SCHEMBL16619429 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19TAAR1KDM4E | |
| SCHEMBL1420648 | 0.77 | CYP1A2 (0.62) | CYP1A2CYP2D6CYP2C19TAAR1KDM4E | |
| SCHEMBL23682794 | 0.77 | CYP1A2 (0.64) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 | |
| SCHEMBL19633152 | 0.76 | CYP1A2 (0.88) | CYP1A2CYP2D6CYP2C19TAAR1HTR2A | |
| SCHEMBL6292536 | 0.76 | TAAR1 (0.50) | CYP1A2CYP2D6CYP2C19TAAR1RIPK1 | |
| SCHEMBL5275606 | 0.75 | CYP1A2 (0.66) | CYP1A2CYP2D6CYP2C19TAAR1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116829540-A | Condensed nitrogen heterocycles as sigma ligand compounds and uses thereof | 密涅瓦神经科学有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2022036080-A1 | CONDENSED AZACYCLES AS SIGMA LIGAND COMPOUNDS AND USES THEREOF | MINERVA NEUROSCIENCES, INC. (US) | 2022-02-17 | — | — | WO | disclosed |