Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1508039 | 0.99 | ADRA2A (0.59) | ADRA2AADRA2BADRA2CTAAR1CYP19A1 | |
| SCHEMBL8522992 | 0.82 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CTAAR1CYP19A1 | |
| Hydrochloric Acid SCHEMBL1507828 | 0.81 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CTAAR1CYP19A1 | |
| SCHEMBL6432589 | 0.74 | CYP19A1 (0.43) | CYP19A1SLC22A12IMPDH2IMPDH1 | |
| SCHEMBL2366649 | 0.74 | ADRA2A (0.97) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL28103549 | 0.74 | ADRA2A (0.69) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL11387115 | 0.73 | ALDH1A1 (0.58) | ADRA2AADRA2BADRA2CCYP19A1 | |
| SCHEMBL3096449 | 0.72 | CYP19A1 (0.51) | CYP19A1SLC22A12IMPDH2IMPDH1 | |
| SCHEMBL2355223 | 0.70 | CYP19A1 (0.53) | ADRA2AADRA2BADRA2CTAAR1CYP19A1 | |
| SCHEMBL6643743 | 0.70 | TAAR1 (0.43) | ADRA2AADRA2BADRA2CTAAR1HTR1A |
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-4937250-A | AROMATASE ENZYME INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1990-06-26 | — | — | US | claimed |
| US-4749713-A | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1988-06-07 | — | — | US | claimed |