Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11317187 | 0.91 | ALDH1A1 (0.42) | CYP2A6ALDH1A1MAPK1GAAHTR2A | |
| SCHEMBL11202847 | 0.79 | CYP2A6 (0.42) | CYP2A6ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL7613201 | 0.78 | CYP2A6 (0.47) | CYP2A6ALDH1A1TAAR1ALOX15MAPK1 | |
| SCHEMBL8331798 | 0.76 | ACHE (0.44) | CYP2A6ALDH1A1TAAR1SMN1; SMN2CYP1A2 | |
| SCHEMBL6141376 | 0.74 | MAPT (0.42) | ALDH1A1ALOX15MAPK1GAASMN1; SMN2 | |
| SCHEMBL11604805 | 0.74 | LMNA (0.42) | CYP2A6ALDH1A1HDAC3HDAC1HDAC2 | |
| Propane SCHEMBL27739979 | 0.73 | CYP2A6 (0.67) | CYP2A6ALDH1A1TAAR1ALOX15MAPK1 | |
| SCHEMBL34614 | 0.72 | CYP3A4 (0.45) | GAASMN1; SMN2CYP3A4HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL11570696 | 0.70 | CYP3A4 (0.43) | SMN1; SMN2CYP3A4HPGDKDM4E | |
| SCHEMBL3749691 | 0.70 | CYP3A4 (0.43) | GAASMN1; SMN2CYP3A4HPGDKDM4E |
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-1117668-A1 | FLUOROUS PHOSPHINES AND PROCESS FOR THEIR PREPARATION | Atofina Vlissingen B.V. (NL) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018774-A1 | FLUOROUS PHOSPHINES AND PROCESSES FOR THEIR PREPARATION | ATOFINA VLISSINGEN B.V. (NL) | 2000-04-06 | — | — | WO | disclosed |