Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.53 |
| ▸ | RORC | P51449 | 1/20 | 0.50 |
| ▸ | RORB | Q92753 | 1/20 | 0.50 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.48 |
| ▸ | MICA | Q29983 | 1/20 | 0.48 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 3/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1398852 | 0.81 | RORB (0.68) | KMORORCRORBALDH1A1MEN1 | |
| SCHEMBL4246561 | 0.80 | DHODH (0.55) | KMODHODHALDH1A1MEN1KMT2A | |
| SCHEMBL34469496 | 0.80 | PARP1 (0.54) | KMORORCRORBKLRK1MICA | |
| SCHEMBL5851623 | 0.79 | RORC (0.54) | KMORORCRORBALDH1A1KDM4E | |
| SCHEMBL2222831 | 0.78 | ALDH1A1 (0.50) | DHODHALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7423738 | 0.78 | RPS6KA3 (0.53) | KMODHODHALDH1A1MEN1KMT2A | |
| SCHEMBL22489951 | 0.78 | MEN1 (0.44) | KLRK1MICARAET1LDHODHGPBAR1 | |
| SCHEMBL10364611 | 0.77 | MKNK1 (0.56) | KMODHODHALDH1A1MEN1KMT2A | |
| SCHEMBL30705023 | 0.77 | MKNK1 (0.56) | KMODHODHALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7279409 | 0.77 | ALDH1A1 (0.49) | DHODHALDH1A1MEN1KMT2AKDM4E |
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-2411011-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111056-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-09-30 | — | — | WO | disclosed |