Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28326255 | 0.98 | CA1 (0.42) | CA1CA2CA12CA7CA14 | |
| Hydrochloric Acid SCHEMBL28047341 | 0.78 | CA1 (0.42) | CA1CA2CA12CA7CA14 | |
| SCHEMBL1803594 | 0.76 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2LMNAKMT2APKM | |
| SCHEMBL10894570 | 0.73 | ALDH1A1 (0.45) | CA1CA2CA12CA7CA14 | |
| SCHEMBL10895434 | 0.72 | ALDH1A1 (0.44) | CA1CA2CA12CA7CA14 | |
| SCHEMBL3227479 | 0.69 | CA12 (0.47) | CA1CA2CA12CA7CA14 | |
| SCHEMBL7415497 | 0.69 | MAOA (0.48) | CA1CA2CA12CA7CA14 | |
| SCHEMBL2634017 | 0.68 | CA1 (0.66) | CA1CA2CA12CA7CA14 | |
| SCHEMBL7427733 | 0.68 | CA1 (0.60) | CA1CA2CA12CA7CA14 | |
| SCHEMBL28326307 | 0.68 | CA1 (0.50) | CA1CA2CA12CA7CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103492376-B | Bicyclic heterocycle compounds and their uses in therapy | ASTEX THERAPEUTICS LTD | 2015-07-22 | — | — | CN | disclosed |