Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SPR | P35270 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL332680 | 0.81 | ENPP2 (0.53) | ENPP2MMP3MAOBTAAR1IDO1 | |
| SCHEMBL28786179 | 0.74 | ALDH1A1 (0.37) | MAOBTAAR1IDO1HTR2CHTR2B | |
| SCHEMBL237972 | 0.68 | ENPP2 (0.63) | ENPP2MMP3TDP1KDM4E | |
| SCHEMBL4797497 | 0.67 | TAAR1 (0.55) | MAOAMAOBTAAR1IDO1AGXT | |
| Bromo Benzyl Cyanide SCHEMBL28326596 | 0.67 | TRPA1 (0.56) | ENPP2MMP3MAOBTAAR1IDO1 | |
| Benzene SCHEMBL5438521 | 0.66 | ENPP2 (0.61) | ENPP2MMP3MAOBTDP1KDM4E | |
| SCHEMBL5762489 | 0.66 | DRD2 (0.62) | HTR2CHTR2B | |
| SCHEMBL29067018 | 0.65 | SMN1; SMN2 (0.68) | PARP1TDP1SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL6495634 | 0.65 | DRD2 (0.60) | HTR2CHTR2B | |
| SCHEMBL521090 | 0.64 | MEN1 (0.73) | MAOBTAAR1IDO1AGXTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101952286-A | Bicyclic derivatives for use in the treatment of androgen receptor associated conditions | ASTRAZENECA AB | 2011-01-19 | — | — | CN | disclosed |