Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.48 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7274920 | 0.85 | CPA1 (0.60) | NPC1RAB9AKMT2AHPGDTDP1 | |
| SCHEMBL14073880 | 0.84 | NPC1 (0.68) | NPC1RAB9AKMT2AHPGDTDP1 | |
| SCHEMBL8539168 | 0.79 | PSMB1 (0.50) | NPC1RAB9AHPGD | |
| SCHEMBL7270627 | 0.79 | PSMB1 (0.49) | NPC1RAB9AKMT2AHPGDCA12 | |
| SCHEMBL8654060 | 0.79 | POLQ (0.44) | KMT2ASMN1; SMN2ANPEPRNPEPDNPEP | |
| SCHEMBL8304512 | 0.76 | NPC1 (0.66) | NPC1RAB9AKMT2AHPGDTDP1 | |
| SCHEMBL7277271 | 0.76 | TDP1 (0.69) | NPC1RAB9AKMT2ATDP1SMN1; SMN2 | |
| SCHEMBL7269002 | 0.75 | MMP2 (0.45) | NPC1RAB9AKMT2ATDP1TACR1 | |
| SCHEMBL19573455 | 0.75 | NPC1 (0.74) | NPC1RAB9AKMT2AHPGDSMN1; SMN2 | |
| SCHEMBL7310334 | 0.75 | NPC1 (0.48) | NPC1RAB9AKMT2AHPGDTDP1 |
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 |