Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3394738 | 0.82 | CYP2D6 (0.60) | LMNAALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL6514681 | 0.82 | CYP2D6 (0.60) | LMNAALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL3394735 | 0.78 | NPC1 (0.53) | LMNANPC1HSD11B1SMYD3KDM4E | |
| SCHEMBL6514673 | 0.78 | NPC1 (0.53) | LMNANPC1HSD11B1SMYD3KDM4E | |
| SCHEMBL3984993 | 0.74 | NPC1 (0.64) | LMNANPC1SMYD3ALDH1A1HPGD | |
| SCHEMBL112516 | 0.73 | NPC1 (0.61) | LMNANPC1SMYD3ROCK2ALDH1A1 | |
| SCHEMBL18898077 | 0.73 | TRPV1 (0.50) | HSD11B1HTT | |
| SCHEMBL6655084 | 0.72 | CHRNA7 (0.64) | — | |
| SCHEMBL23772365 | 0.71 | MTNR1A (0.53) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL5304873 | 0.71 | NPC1 (0.60) | LMNANPC1SMYD3ROCK2ALDH1A1 |
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-2012061708-A1 | CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B] PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-10 | — | — | WO | disclosed |