Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 10/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1198090 | 0.86 | GSK3B (0.58) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL19138068 | 0.81 | GSK3B (0.49) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL23241733 | 0.81 | GSK3B (0.46) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL19172275 | 0.80 | GSK3B (0.44) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL17382560 | 0.80 | CYP17A1 (0.51) | GSK3BPTPN1 | |
| SCHEMBL17488563 | 0.80 | NPC1 (0.58) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL8238688 | 0.79 | GSK3B (0.59) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL773314 | 0.78 | ALDH1A1 (0.68) | GSK3BPTPN1ALDH1A1TP53HIF1A | |
| SCHEMBL1197741 | 0.78 | NPC1 (0.52) | GSK3BPTPN1ALDH1A1TP53MAPT | |
| SCHEMBL1160190 | 0.77 | POLB (0.61) | GSK3BPTPN1ALDH1A1TP53MAPT |
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-3283464-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| EP-3283464-A1 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016168098-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-20 | — | — | WO | disclosed |