Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | GRK6 | P43250 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27837167 | 0.86 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL27803420 | 0.86 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL27803395 | 0.83 | KDM4E (0.53) | ALDH1A1SMN1; SMN2KDM4EPTGDR2 | |
| SCHEMBL27818022 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL27803413 | 0.81 | KDM4E (0.56) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL27803404 | 0.81 | KDM4E (0.46) | ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E | |
| SCHEMBL2994499 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL27803418 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL28790262 | 0.77 | ALOX5 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL27803416 | 0.74 | KDM4E (0.50) | ALDH1A1KDM4EPTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| CN-101965343-A | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-02 | — | — | CN | disclosed |