Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTR1E | P28566 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347065 | 0.77 | RAB9A (0.66) | ALDH1A1MEN1KMT2ALMNANPC1 | |
| SCHEMBL6568610 | 0.75 | RAB9A (0.63) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL4348625 | 0.71 | SMN1; SMN2 (0.71) | ALDH1A1HPGDMEN1KMT2ALMNA | |
| SCHEMBL6567255 | 0.71 | EPHX2 (0.59) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL6568672 | 0.71 | ALDH1A1 (0.47) | S1PR1ALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL6565535 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HPGDMEN1KMT2AMAPT | |
| SCHEMBL4345960 | 0.71 | EPHX1 (0.64) | S1PR1ALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL2860414 | 0.70 | S1PR1 (1.00) | S1PR1 | |
| SCHEMBL6565598 | 0.69 | SMN1; SMN2 (0.68) | ALDH1A1HPGDMEN1KMT2ALMNA | |
| SCHEMBL4352945 | 0.69 | RAB9A (0.59) | ALDH1A1MEN1KMT2ALMNAMAPT |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |