Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1RN | P18510 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277859 | 1.00 | IL1RN (0.42) | IL1RNERAP2ERAP1ATMCTSL | |
| SCHEMBL7275750 | 0.78 | CA2 (0.43) | CTSLCTSBCA2HSD17B10 | |
| SCHEMBL7268606 | 0.76 | MMP12 (0.39) | CA2ADAMTS4MMP13 | |
| SCHEMBL21034362 | 0.76 | ADAMTS4 (0.50) | IL1RNERAP2ERAP1CTSLCTSB | |
| SCHEMBL21034448 | 0.76 | ADAMTS4 (0.50) | IL1RNERAP2ERAP1CTSLCTSB | |
| SCHEMBL8534885 | 0.73 | KLK5 (0.48) | KMT2A | |
| SCHEMBL7338091 | 0.73 | ITGB3 (0.48) | CTSLCTSBCTSKITGB3ITGA2B | |
| SCHEMBL7338097 | 0.73 | ITGB3 (0.48) | CTSLCTSBCTSKITGB3ITGA2B | |
| SCHEMBL18811597 | 0.72 | HSD17B10 (0.46) | ITGB3ITGA2BCSNK1A1HSD17B10HTR1A | |
| SCHEMBL7339458 | 0.72 | CA2 (0.65) | CTSLCTSBCTSKCA1CA2 |
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 |