Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ACACA | Q13085 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | VDR | P11473 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.50 |
| ▸ | TACR3 | P29371 | 5/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409376 | 0.87 | MAPT (0.55) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL13763566 | 0.85 | IDH1 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL12463992 | 0.85 | NPC1 (0.48) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL30112701 | 0.84 | KDM4E (0.60) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL6380914 | 0.84 | SQOR (0.58) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL8273166 | 0.84 | NPC1 (0.65) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL8272283 | 0.83 | SQOR (0.60) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL8272309 | 0.83 | NPC1 (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL508691 | 0.83 | NPC1 (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL1536512 | 0.83 | NPC1 (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |
| EP-2033654-A1 | Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus | Bristol-Myers Squibb Company (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1629000-B1 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |