Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | TYR | P14679 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20653 | 0.88 | CA12 (0.72) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL20654 | 0.88 | CA12 (0.72) | ALDH1A1CA12CA1CA2TYR | |
| Hydrochloric Acid SCHEMBL724882 | 0.87 | CA12 (0.70) | ALDH1A1CA12CA1CA2TYR | |
| Hydrochloric Acid SCHEMBL724881 | 0.87 | CA12 (0.70) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL4429187 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL4429179 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL1133144 | 0.85 | CA12 (0.68) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL11332365 | 0.85 | CA12 (0.68) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL71224 | 0.81 | CA12 (0.84) | ALDH1A1CA12CA1CA2TYR | |
| SCHEMBL475274 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MAPTKDM4EKMT2A |
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-2069291-A1 | HDAC INHIBITORS | Chroma Therapeutics Limited (GB) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008040934-A1 | HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2008-04-10 | — | — | WO | disclosed |