Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.46 |
| ▸ | RAB9A | P51151 | 9/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2912992 | 0.95 | NPC1 (0.45) | NPC1RAB9APOLBIDO1SIGMAR1 | |
| SCHEMBL2907059 | 0.85 | C3AR1 (0.39) | NPC1RAB9APOLBSMN1; SMN2EPHX1 | |
| SCHEMBL3651333 | 0.81 | NPC1 (0.42) | NPC1RAB9APOLBSMN1; SMN2EPHX1 | |
| SCHEMBL2912657 | 0.79 | EPHX2 (0.51) | NPC1RAB9ASIGMAR1EPHX1LMNA | |
| SCHEMBL3648066 | 0.79 | KMT2A (0.38) | NPC1RAB9APOLBSIGMAR1SMN1; SMN2 | |
| SCHEMBL3649621 | 0.79 | NPC1 (0.40) | NPC1RAB9APOLBIDO1SMN1; SMN2 | |
| SCHEMBL2914994 | 0.78 | MEN1 (0.48) | NPC1RAB9APOLBEPHX1LMNA | |
| SCHEMBL2912514 | 0.78 | TP53 (0.40) | NPC1RAB9APOLBIDO1SMN1; SMN2 | |
| SCHEMBL2909783 | 0.78 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3654059 | 0.78 | EPHX1 (0.44) | NPC1RAB9ASMN1; SMN2EPHX1ALDH1A1 |
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-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | claimed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | claimed |
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | disclosed |