Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.45 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | PTGIR | P43119 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3675252 | 0.86 | RAB9A (0.65) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL4444734 | 0.81 | NR1H4 (0.69) | NPC1RAB9AMEN1KMT2ANR1H4 | |
| SCHEMBL4450492 | 0.81 | ENPP2 (0.56) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL731180 | 0.79 | NQO2 (0.54) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3294745 | 0.75 | NPC1 (0.54) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL694904 | 0.73 | NQO2 (0.56) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL13298071 | 0.73 | MAOB (0.54) | MEN1KMT2ALMNANR1H4DHODH | |
| SCHEMBL8577619 | 0.72 | SMN1; SMN2 (0.70) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6204492 | 0.72 | NQO2 (0.55) | NPC1RAB9ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL10599853 | 0.72 | MEN1 (0.79) | NPC1RAB9AMEN1KMT2ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1819691-A2 | BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS | F. Hoffmann-Roche AG (CH) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006058648-A2 | BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-08 | — | — | WO | disclosed |