Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27723131 | 0.89 | TTR (0.41) | TTRAPPCA12CA1CA2 | |
| SCHEMBL27697710 | 0.86 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL1174586 | 0.81 | KDM4E (0.42) | TTRAPPCA12CA1CA2 | |
| SCHEMBL1174584 | 0.81 | KDM4E (0.42) | TTRAPPCA12CA1CA2 | |
| SCHEMBL30970368 | 0.75 | ABCG2 (0.45) | TTRAPPCA12CA1CA2 | |
| SCHEMBL27702645 | 0.73 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12912589 | 0.71 | ABCB1 (0.53) | TTRAPPCA12CA1CA2 | |
| SCHEMBL1854592 | 0.70 | TTR (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL1854594 | 0.70 | TTR (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL13954853 | 0.68 | ALDH1A1 (0.46) | TTRAPPCA12CA1CA2 |
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-101146529-B | Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists | ACTELION PHARMACEUTICALS LTD | 2012-08-29 | — | — | CN | disclosed |
| CN-101146529-A | Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-19 | — | — | CN | disclosed |