Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7270231 | 1.00 | ITGB3 (0.40) | ITGB3ITGA2BCTSLCTSBCTSK | |
| SCHEMBL6446187 | 0.87 | ALDH1A1 (0.46) | KDM4EKMT2AALDH1A1MEN1ATM | |
| SCHEMBL6446180 | 0.87 | ALDH1A1 (0.46) | KDM4EKMT2AALDH1A1MEN1ATM | |
| SCHEMBL7279082 | 0.87 | TSHR (0.41) | KMT2AMEN1ATMACACB | |
| SCHEMBL7279077 | 0.87 | TSHR (0.41) | KMT2AMEN1ATMACACB | |
| SCHEMBL6444920 | 0.86 | ALDH1A1 (0.47) | KDM4EKMT2AALDH1A1MEN1ATM | |
| SCHEMBL6444915 | 0.86 | ALDH1A1 (0.47) | KDM4EKMT2AALDH1A1MEN1ATM | |
| Lithium Ion SCHEMBL7270236 | 0.84 | HRH3 (0.41) | CTSLCTSBCTSKKMT2AMEN1 | |
| SCHEMBL25978964 | 0.82 | HRH3 (0.45) | KMT2AMEN1ACACB | |
| SCHEMBL6443665 | 0.76 | SMN1; SMN2 (0.47) | KDM4ETYRALDH1A1SMN1; SMN2 |
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-0402646-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 1998-07-22 | — | — | EP | disclosed |
| 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 |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |