Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | HTT | P42858 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12627927 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL27996103 | 0.77 | ALDH1A1 (0.74) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL4697569 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL9412272 | 0.76 | ALDH1A1 (0.78) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL31116748 | 0.75 | RORC (0.42) | ALDH1A1KDM4EKMT2AMEN1MAPT | |
| SCHEMBL674179 | 0.74 | ALDH1A1 (0.58) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL5102370 | 0.74 | ALDH1A1 (0.56) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL6869652 | 0.73 | ALDH1A1 (0.53) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT | |
| SCHEMBL27716107 | 0.72 | RORC (0.52) | ALDH1A1SMN1; SMN2KMT2ALMNARORC | |
| SCHEMBL7202295 | 0.72 | ALDH1A1 (0.61) | ALDH1A1KDM4EIMPDH2SMN1; SMN2HTT |
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-1663202-A1 | SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) | Aventis Pharmaceuticals, Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005023246-A1 | SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) | AVENTIS PHARMACEUTICALS INC. (US) | 2005-03-17 | — | — | WO | disclosed |