Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10068935 | 0.99 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2NPSR1ATMKMO | |
| SCHEMBL10069344 | 0.93 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPSR1ATMHSD17B10 | |
| SCHEMBL8619431 | 0.86 | HSD17B10 (0.50) | ALDH1A1SMN1; SMN2NPSR1ATMKMO | |
| SCHEMBL10068936 | 0.85 | HSD17B10 (0.51) | ALDH1A1SMN1; SMN2NPSR1ATMKMO | |
| SCHEMBL10068703 | 0.81 | KMO (0.54) | ALDH1A1SMN1; SMN2NPSR1ATMKMO | |
| SCHEMBL16952270 | 0.79 | HSD17B10 (0.41) | ALDH1A1SMN1; SMN2NPSR1ATMHSD17B10 | |
| SCHEMBL13406258 | 0.79 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2NPSR1ATMKMO | |
| SCHEMBL4389273 | 0.79 | CA12 (0.52) | ALDH1A1SMN1; SMN2NPSR1ATMHSD17B10 | |
| SCHEMBL10068933 | 0.79 | KMO (0.51) | ALDH1A1SMN1; SMN2NPSR1ATMKMO | |
| SCHEMBL184149 | 0.78 | HSD17B10 (0.54) | ALDH1A1HSD17B10CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012019428-A1 | BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |