Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | HPN | P05981 | 5/20 | 0.37 |
| ▸ | PLAU | P00749 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HTR1E | P28566 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3652700 | 0.85 | NR1H4 (0.43) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL3652145 | 0.84 | NR1H4 (0.45) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL3659618 | 0.79 | GAA (0.50) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL3661070 | 0.77 | MAPT (0.47) | NPC1RAB9AMAPTPOLBHPN | |
| SCHEMBL3655202 | 0.77 | NR1H4 (0.43) | NPC1RAB9ASMN1; SMN2MAPTEPHX1 | |
| SCHEMBL3650056 | 0.76 | ALDH1A1 (0.48) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL3806736 | 0.76 | NR1H4 (0.51) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL3652179 | 0.75 | NR1H4 (0.53) | NPC1RAB9ASMN1; SMN2MAPTEPHX1 | |
| SCHEMBL3660274 | 0.74 | PLAU (0.44) | NPC1RAB9ASMN1; SMN2MAPTPOLB | |
| SCHEMBL4040844 | 0.73 | NR1H4 (0.47) | NPC1RAB9ASMN1; SMN2MAPTPOLB |
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-2225221-A2 | CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | claimed |
| WO-2009080555-A2 | CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | claimed |