Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL7279703 | 0.85 | CA12 (0.47) | CA12ALDH1A1ATMCA2CA1 | |
| SCHEMBL7275980 | 0.81 | ALDH1A1 (0.47) | CA12ALDH1A1ATMCA2CA1 | |
| SCHEMBL17563423 | 0.75 | ALDH1A1 (0.55) | CA12ALDH1A1ATMCA2CA1 | |
| SCHEMBL10317146 | 0.75 | CA12 (0.53) | CA12ALDH1A1ATMCA2CA1 | |
| SCHEMBL21560929 | 0.75 | ALDH1A1 (0.55) | CA12ALDH1A1ATMCA2CA1 | |
| SCHEMBL31153737 | 0.75 | ALDH1A1 (0.55) | CA12ALDH1A1ATMCA2CA1 | |
| SCHEMBL7270371 | 0.74 | CTSD (0.44) | CA2 | |
| SCHEMBL6161498 | 0.74 | ALDH1A1 (0.53) | ALDH1A1ATMCTSBMAPTL3MBTL1 | |
| SCHEMBL14777737 | 0.74 | ALDH1A1 (0.53) | ALDH1A1ATMCTSBMAPTL3MBTL1 | |
| SCHEMBL18732578 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CTSBL3MBTL1 |
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 |