Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.46 |
| ▸ | IL1RN | P18510 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ECE1 | P42892 | 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 | |
|---|---|---|---|---|
| SCHEMBL8874165 | 0.81 | ALDH1A1 (0.45) | CTSBERAP2ERAP1IL1RNCA2 | |
| SCHEMBL5222478 | 0.81 | ALDH1A1 (0.45) | CTSBERAP2ERAP1IL1RNCA2 | |
| SCHEMBL3913155 | 0.81 | ALDH1A1 (0.45) | CTSBERAP2ERAP1IL1RNCA2 | |
| SCHEMBL8535165 | 0.79 | CTSB (0.56) | CTSBCTSKERAP2ERAP1IL1RN | |
| SCHEMBL23051873 | 0.77 | CTSB (0.59) | CTSBCTSKERAP2ERAP1IL1RN | |
| SCHEMBL20276639 | 0.76 | ALDH1A1 (0.47) | CTSKCA2CTSLCTSSCA1 | |
| SCHEMBL18256487 | 0.76 | ALDH1A1 (0.47) | CTSKCA2CTSLCTSSCA1 | |
| SCHEMBL3525448 | 0.76 | ALDH1A1 (0.47) | CTSKCA2CTSLCTSSCA1 | |
| SCHEMBL8536011 | 0.76 | CTSB (0.53) | CTSBCTSKERAP2ERAP1IL1RN | |
| SCHEMBL6450608 | 0.76 | CTSB (0.53) | CTSBCTSKERAP2ERAP1IL1RN |
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 4 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 |