Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2310577 | 0.90 | NR1H4 (0.42) | NR1H4HTR2BEPHX2NPC1RAB9A | |
| SCHEMBL2310551 | 0.88 | NR1H4 (0.41) | NR1H4HTR2BEPHX2APEX1ANO1 | |
| SCHEMBL2309892 | 0.88 | NR1H4 (0.44) | NR1H4HTR2BNPC1RAB9A | |
| SCHEMBL2305348 | 0.85 | NR1H4 (0.46) | NR1H4NPC1RAB9A | |
| SCHEMBL2308785 | 0.78 | NR1H4 (0.40) | NR1H4HTR2BEPHX2NPC1RAB9A | |
| SCHEMBL2913040 | 0.77 | TSHR (0.44) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL2308591 | 0.77 | NR1H4 (0.43) | NR1H4NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL2306977 | 0.76 | NR1H4 (0.43) | NR1H4HTR2BEPHX2NPC1RAB9A | |
| SCHEMBL2305595 | 0.76 | NR1H4 (0.49) | NR1H4NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL2304490 | 0.74 | NR1H4 (0.44) | NR1H4NPC1RAB9A |
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-2350022-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | claimed |
| WO-2010043513-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-22 | — | — | WO | claimed |