Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALPG | P10696 | 1/20 | 0.48 |
| ▸ | VNN1 | O95497 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538655 | 0.91 | CTSB (0.58) | CTSBKMT2AALDH1A1NPC1PKM | |
| SCHEMBL14247323 | 0.81 | CTSB (0.61) | CTSBKMT2AALDH1A1NPC1PKM | |
| SCHEMBL18547825 | 0.81 | CTSB (0.61) | CTSBKMT2AALDH1A1PKMMAPT | |
| SCHEMBL6474847 | 0.81 | HTR6 (0.58) | KMT2AALDH1A1NPC1AKR1B10AKR1B1 | |
| SCHEMBL7322890 | 0.81 | CTSB (0.66) | CTSBKMT2AALDH1A1NPC1PKM | |
| SCHEMBL17714697 | 0.80 | KMT2A (0.53) | KMT2AALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL16407609 | 0.79 | NPC1 (0.53) | KMT2AALDH1A1NPC1RAB9AAKR1B10 | |
| SCHEMBL11037162 | 0.79 | KMT2A (0.52) | KMT2AALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL4309629 | 0.78 | MAPT (0.62) | KMT2AALDH1A1NPC1RAB9AAKR1B10 | |
| SCHEMBL23144814 | 0.78 | MAPT (0.60) | KMT2AALDH1A1NPC1RAB9AAKR1B10 |
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 6 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 |
| US-9328131-B2 | Benzimidazolium compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-05-03 | — | — | US | disclosed |
| WO-2015007519-A1 | NOVEL BENZIMIDAZOLIUM COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-22 | — | — | WO | disclosed |
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| US-4695575-A | ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |