Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | IL1RN | P18510 | 1/20 | 0.46 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270142 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP2C19KMT2ASIGMAR1 | |
| SCHEMBL6831165 | 0.88 | ALDH1A1 (0.47) | KMT2AIL1RNERAP2ERAP1 | |
| SCHEMBL27058217 | 0.84 | IL1RN (0.47) | KMT2ACA2CA5AIL1RNERAP2 | |
| SCHEMBL352773 | 0.84 | CA2 (0.43) | CA2CA5AIL1RNERAP2ERAP1 | |
| SCHEMBL7277829 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19KMT2ASIGMAR1 | |
| SCHEMBL7277833 | 0.84 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19KMT2ASIGMAR1 | |
| SCHEMBL22004939 | 0.82 | ALDH1A1 (0.50) | IL1RNERAP2ERAP1 | |
| SCHEMBL2138849 | 0.82 | ALDH1A1 (0.50) | IL1RNERAP2ERAP1 | |
| SCHEMBL2136933 | 0.82 | ALDH1A1 (0.50) | IL1RNERAP2ERAP1 | |
| Hydrochloric Acid SCHEMBL2136937 | 0.81 | IL1RN (0.49) | KMT2AIL1RNERAP2ERAP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |