Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18638551 | 0.84 | GRIN2B (0.53) | ALDH1A1KDM4EGLAGAARAB9A | |
| SCHEMBL29558894 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KDM4EGLAGAARAB9A | |
| SCHEMBL19312416 | 0.81 | SPHK1 (0.53) | ALDH1A1KDM4EGLAGAARAB9A | |
| SCHEMBL18751789 | 0.80 | GRIN2B (0.53) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL3733050 | 0.78 | TSHR (0.52) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL16407436 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EGLAGAARAB9A | |
| SCHEMBL30020857 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4EGLAGAARAB9A | |
| SCHEMBL29987259 | 0.78 | KDM4C (0.54) | ALDH1A1GAAHTTGRIN2BTSHR | |
| SCHEMBL18751788 | 0.78 | GRIN2B (0.68) | ALDH1A1KDM4EGLAUSP2CYP1A2 | |
| SCHEMBL29558920 | 0.78 | KDM4C (0.54) | ALDH1A1GAAHTTGRIN2BTSHR |
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-3022196-B1 | NOVEL BENZIMIDAZOLIUM COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-09-06 | — | — | EP | disclosed |
| WO-2015007519-A1 | NOVEL BENZIMIDAZOLIUM COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-22 | — | — | WO | disclosed |