Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | GMNN | O75496 | 1/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | DHODH | Q02127 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9002267 | 0.90 | RORB (0.56) | ALDH1A1TDP1LMNAMEN1GMNN | |
| SCHEMBL5178386 | 0.87 | PARP1 (0.58) | ALDH1A1TDP1LMNAMEN1GMNN | |
| SCHEMBL29978735 | 0.84 | TDP1 (0.61) | ALDH1A1TDP1LMNAMEN1GMNN | |
| SCHEMBL4197626 | 0.84 | TDP1 (0.61) | ALDH1A1TDP1LMNAMEN1GMNN | |
| Hydrochloric Acid SCHEMBL6201867 | 0.82 | KDM4E (0.59) | ALDH1A1TDP1LMNAMEN1GMNN | |
| SCHEMBL3345499 | 0.81 | KMO (0.56) | ALDH1A1TDP1LMNAMEN1GMNN | |
| SCHEMBL5125812 | 0.80 | KDM4E (0.65) | ALDH1A1TDP1LMNACYP3A4DHODH | |
| SCHEMBL8936334 | 0.78 | ADORA2A (0.51) | ALDH1A1MEN1KMT2AKDM4EKMO | |
| SCHEMBL912675 | 0.78 | KDM4E (0.77) | ALDH1A1TDP1LMNAMEN1CYP3A4 | |
| SCHEMBL31586013 | 0.78 | KDM4E (0.77) | ALDH1A1TDP1LMNAMEN1CYP3A4 |
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 |