Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | VDR | P11473 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.56 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7668615 | 0.89 | NR1I2 (0.72) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL38652457 | 0.87 | KDM4E (0.64) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL7673043 | 0.87 | KDM4E (0.64) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL7674286 | 0.81 | GUSB (0.64) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL8618963 | 0.80 | ALDH1A1 (0.56) | NR1I3KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL24393313 | 0.79 | HPGD (0.66) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL7672854 | 0.79 | KDM4E (0.50) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL7669897 | 0.79 | PDE2A (0.60) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL8620408 | 0.79 | NR1I3 (0.54) | NR1I2CYP1A2VDRCYP2C9CYP2B6 | |
| SCHEMBL2823766 | 0.78 | ALDH1A1 (0.64) | NR1I3KDM4EALDH1A1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6479499-B1 | INHIBITORS OF TUBULIN POLYMERIZATION | NATIONAL SCIENCE COUNCIL (TW) | 2002-11-12 | — | — | US | disclosed |