Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20060568 | 0.80 | MAPK1 (0.61) | ALDH1A1HPGDRECQLMAPTKDM4E | |
| SCHEMBL26063190 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPK1 | |
| SCHEMBL10883199 | 0.77 | MAPK1 (0.67) | ALDH1A1HPGDRECQLPKMMAPT | |
| SCHEMBL26039915 | 0.74 | KDM6B (0.65) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL5305104 | 0.73 | SMN1; SMN2 (0.62) | ALDH1A1HPGDRECQLPKMMAPT | |
| SCHEMBL3577936 | 0.73 | KDM6B (0.58) | ALDH1A1HPGDKDM4ELMNARAB9A | |
| SCHEMBL26064122 | 0.73 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPK1 | |
| SCHEMBL26063161 | 0.72 | KDM6B (0.56) | CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27284513 | 0.72 | ALDH1A1 (0.35) | ALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL8752059 | 0.72 | KDM6B (0.42) | ALDH1A1HPGDKDM4ELMNAMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017114-A1 | NEW SUBSTITUTED AZATHYMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES | MERLION PHARMACEUTICALS SA (CH) | 2007-02-15 | — | — | WO | disclosed |