Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.45 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.45 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31052933 | 0.87 | TDP1 (0.57) | GAANPC1RAB9AL3MBTL1ATM | |
| SCHEMBL23263412 | 0.83 | GAA (0.55) | GAANPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL8606277 | 0.82 | ATM (0.52) | NPC1RAB9AL3MBTL1ATMTDP1 | |
| SCHEMBL9766594 | 0.82 | ATM (0.52) | NPC1RAB9AL3MBTL1ATMTDP1 | |
| SCHEMBL9759904 | 0.81 | BRAF (0.55) | GAANPC1L3MBTL1ATMTDP1 | |
| SCHEMBL9812344 | 0.81 | MEN1 (0.58) | GAANPC1RAB9AL3MBTL1ATM | |
| SCHEMBL11357069 | 0.77 | RAB9A (0.62) | NPC1RAB9AL3MBTL1ATMTDP1 | |
| SCHEMBL9760868 | 0.77 | MAPK1 (0.59) | GAATDP1KDM4EALDH1A1MEN1 | |
| SCHEMBL332679 | 0.76 | ATM (0.61) | NPC1RAB9AL3MBTL1ATMTDP1 | |
| SCHEMBL11504870 | 0.76 | AKR1C3 (0.63) | GAAATMTDP1ALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |