Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21534 | 1.00 | CA12 (0.48) | CA12CA2CA9TSHRALDH1A1 | |
| SCHEMBL30986868 | 0.97 | CA12 (0.47) | CA12CA2CA9TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL27407326 | 0.97 | CA12 (0.47) | CA12CA2CA9TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL5597341 | 0.97 | CA12 (0.47) | CA12CA2CA9TSHRALDH1A1 | |
| Propylamine SCHEMBL11307082 | 0.89 | ADRA2A (0.44) | CA12CA2CA9TSHRALDH1A1 | |
| SCHEMBL17524524 | 0.85 | TAAR1 (0.48) | ALDH1A1ADRA2AADRA2BADRA2CTAAR1 | |
| SCHEMBL10109880 | 0.85 | TAAR1 (0.48) | ALDH1A1ADRA2AADRA2BADRA2CTAAR1 | |
| SCHEMBL10330355 | 0.85 | ADRA2A (0.58) | TSHRALDH1A1ADRA2AADRA2BADRA2C | |
| Styrene SCHEMBL10623951 | 0.83 | TSHR (0.54) | CA12CA2CA9TSHRALDH1A1 | |
| SCHEMBL29373639 | 0.82 | CA12 (0.44) | CA12CA2CA9TSHRALDH1A1 |
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-0934264-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998012177-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (JP) | 1998-03-26 | — | — | WO | disclosed |