Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.51 |
| ▸ | CA1 | P00915 | 17/20 | 0.51 |
| ▸ | CA12 | O43570 | 17/20 | 0.51 |
| ▸ | CA9 | Q16790 | 17/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10752677 | 0.82 | ALDH1A1 (0.64) | HDAC6KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL10756399 | 0.80 | RAB9A (0.46) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL10758245 | 0.79 | HDAC6 (0.42) | HDAC6KDM4ENPC1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL10758246 | 0.78 | HDAC6 (0.41) | HDAC6KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL1202800 | 0.77 | ALDH1A1 (0.49) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL10754655 | 0.77 | HDAC6 (0.74) | HDAC6KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL12970200 | 0.76 | RAB9A (0.55) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL5309811 | 0.76 | NPC1 (0.57) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL15473569 | 0.76 | NPC1 (0.57) | KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL10755848 | 0.76 | KLK7 (0.56) | HDAC6KDM4ENPC1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4716169-A | INOTROPIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1987-12-29 | — | — | US | disclosed |
| EP-0185345-A1 | Imidazo derivatives, their preparation and medicines containing them | Dr. Karl Thomae GmbH (DE) | 1986-06-25 | — | — | EP | disclosed |