Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL8000704 | 0.85 | HPGD (0.37) | GAARAPGEF4HPGDCYP1A2NPC1 | |
| SCHEMBL21239424 | 0.79 | CYP3A4 (0.39) | GAARAPGEF4HPGDCYP1A2NPC1 | |
| SCHEMBL22791425 | 0.78 | GAA (0.37) | GAARAPGEF4HPGDCYP1A2NPC1 | |
| SCHEMBL10284425 | 0.78 | GAA (0.41) | GAARAPGEF4HPGDCYP1A2NPC1 | |
| SCHEMBL19848160 | 0.76 | GAA (0.33) | GAARAPGEF4HPGDNPC1RAB9A | |
| SCHEMBL22912203 | 0.76 | TRPA1 (0.35) | GAACYP1A2NPC1RAB9ACYP2A6 | |
| SCHEMBL20726532 | 0.75 | GAA (0.39) | GAARAPGEF4HPGDCYP1A2NPC1 | |
| SCHEMBL24874017 | 0.75 | ENPP2 (0.34) | — | |
| SCHEMBL14476938 | 0.75 | KIF11 (0.39) | GAACYP1A2CYP3A4KDM4ECYP2C9 | |
| SCHEMBL21991425 | 0.75 | NPSR1 (0.48) | GAAHPGDNPC1RAB9AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |