Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7008135 | 1.00 | KDM4E (0.34) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL6697560 | 1.00 | KDM4E (0.34) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10563448 | 0.92 | KDM4E (0.33) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL588856 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL2904179 | 0.82 | KDM4E (0.40) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL4380928 | 0.77 | KDM4E (0.32) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL4369373 | 0.76 | CYP2D6 (0.32) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| Hydrochloric Acid SCHEMBL2906352 | 0.76 | KDM4E (0.35) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL22082531 | 0.76 | KDM4E (0.35) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL1704716 | 0.74 | — | — |
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-2002096361-A2 | 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS | SUGEN, INC. (US) | 2002-12-05 | — | — | WO | disclosed |