Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1128052 | 0.82 | CES2 (0.43) | CES2CES1 | |
| SCHEMBL2932458 | 0.79 | MDM2 (0.39) | SMN1; SMN2 | |
| SCHEMBL2489407 | 0.79 | HDAC4 (0.33) | MAPTCES2CES1 | |
| SCHEMBL27554625 | 0.79 | APLNR (0.38) | PKMAPLNRNPC1MAPTRAB9A | |
| SCHEMBL1701612 | 0.79 | CA3 (0.42) | CES2CES1 | |
| SCHEMBL20551407 | 0.79 | MDM2 (0.39) | SMN1; SMN2 | |
| SCHEMBL20551270 | 0.78 | CES2 (0.43) | CES2CES1 | |
| SCHEMBL6442608 | 0.78 | CES2 (0.43) | CES2CES1 | |
| SCHEMBL6472594 | 0.77 | PSEN1 (0.35) | CES2CES1 | |
| SCHEMBL27551769 | 0.77 | PKM (0.35) | PKMAPLNRNPC1MAPTRAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534152-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| EP-2534154-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| EP-2056817-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM | Bayer HealthCare AG (DE) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008025509-A1 | BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-06 | — | — | WO | disclosed |