Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 12/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | PPARG | P37231 | 6/20 | 0.61 |
| ▸ | PPARD | Q03181 | 4/20 | 0.61 |
| ▸ | FABP2 | P12104 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9614371 | 0.89 | PPARA (0.54) | PPARAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL6555975 | 0.88 | PPARA (0.69) | PPARAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL6557438 | 0.88 | PPARA (0.69) | PPARAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL29079337 | 0.86 | PPARA (0.53) | PPARAMEN1KMT2AMAPTPPARG | |
| SCHEMBL11571590 | 0.85 | PPARA (0.74) | PPARAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL29079369 | 0.85 | PPARA (0.52) | PPARAMEN1KMT2APPARGPPARD | |
| SCHEMBL29079347 | 0.85 | PPARA (0.52) | PPARAPPARGPPARDFABP2ALDH1A1 | |
| SCHEMBL29079329 | 0.83 | PPARA (0.56) | PPARAKMT2APPARGPPARDFABP2 | |
| SCHEMBL1304685 | 0.82 | MEN1 (0.67) | PPARAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL16560992 | 0.82 | KMT2A (0.74) | MEN1KMT2AMAPTALDH1A1HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0471811-A4 | ALLOSTERIC HEMOGLOBIN MODIFIERS | — | 1992-11-25 | — | — | EP | disclosed |
| EP-0471811-A1 | ALLOSTERIC HEMOGLOBIN MODIFIERS. | INNOVATIVE TECH CENTER (US) | 1992-02-26 | — | — | EP | disclosed |
| WO-1991012235-A1 | ALLOSTERIC HEMOGLOBIN MODIFIERS | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1991-08-22 | — | — | WO | disclosed |