Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6029792 | 0.86 | PRKCI (0.53) | PRKCIKDM4EMAPTALDH1A1CYP3A4 | |
| SCHEMBL29939053 | 0.86 | PRKCI (0.53) | PRKCIKDM4EMAPTALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7844046 | 0.84 | ACHE (0.55) | PRKCIKDM4EMAPTALDH1A1CYP3A4 | |
| SCHEMBL15358717 | 0.81 | CASP1 (0.39) | PRKCIKDM4EMAPTALDH1A1CYP3A4 | |
| SCHEMBL6004557 | 0.80 | GABRA1 (0.50) | PRKCIKDM4EMAPTALDH1A1CYP3A4 | |
| SCHEMBL30513627 | 0.79 | TYR (0.58) | MAPTALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL933119 | 0.79 | TYR (0.58) | MAPTALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL1569775 | 0.78 | CA3 (0.46) | KDM4EMAPTALOX15HSD17B10MAPK1 | |
| SCHEMBL1440767 | 0.78 | TAAR1 (0.34) | PRKCIMAPTGAATSHRACHE | |
| SCHEMBL454663 | 0.77 | CASP1 (0.52) | PRKCIKDM4EMAPTALDH1A1CYP3A4 |
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 4 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 |