Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 7/20 | 0.38 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL458714 | 0.90 | KDM4E (0.40) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL462539 | 0.85 | PSIP1 (0.51) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL461782 | 0.83 | NPC1 (0.40) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL461275 | 0.83 | NPC1 (0.40) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL461198 | 0.80 | PSIP1 (0.42) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL461199 | 0.80 | PSIP1 (0.42) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL461744 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 | |
| SCHEMBL458941 | 0.77 | NR1I2 (0.55) | ALDH1A1KDM4EHTTL3MBTL1NPC1 | |
| SCHEMBL461811 | 0.77 | NR1I2 (0.55) | ALDH1A1KDM4EHTTL3MBTL1NPC1 | |
| SCHEMBL462711 | 0.77 | MAPT (0.46) | ALDH1A1KDM4EHTTL3MBTL1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2614064-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |