Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748776 | 0.86 | PTPRC (0.42) | CYP1A2POLBERN1ALDH1A1TDP1 | |
| SCHEMBL9800931 | 0.81 | CYP1A2 (0.41) | CYP1A2POLBERN1ALDH1A1TDP1 | |
| SCHEMBL10033263 | 0.81 | CYP1A2 (0.58) | CYP1A2ERN1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL30468473 | 0.80 | CYP1A2 (0.45) | CYP1A2POLBALDH1A1TDP1CYP3A4 | |
| SCHEMBL3379806 | 0.80 | CYP1A2 (0.45) | CYP1A2POLBALDH1A1TDP1CYP3A4 | |
| SCHEMBL1684411 | 0.80 | ALDH1A1 (0.48) | CYP1A2POLBALDH1A1TDP1CYP3A4 | |
| SCHEMBL1640597 | 0.79 | ALDH1A1 (0.49) | CYP1A2ERN1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL30714466 | 0.79 | HSD17B10 (0.56) | CYP1A2POLBERN1ALDH1A1TDP1 | |
| SCHEMBL1195412 | 0.79 | HSD17B10 (0.56) | CYP1A2POLBERN1ALDH1A1TDP1 | |
| SCHEMBL14894155 | 0.79 | ALDH1A1 (0.56) | CYP1A2ERN1ALDH1A1TDP1CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2739628-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-06-11 | — | — | EP | disclosed |
| EP-2739625-A1 | CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-06-11 | — | — | EP | disclosed |
| WO-2013022818-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |
| WO-2013022814-A1 | CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |
| 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 |