Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.31 |
| ▸ | NQO1 | P15559 | 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 | |
|---|---|---|---|---|
| SCHEMBL8669797 | 0.80 | ALDH1A1 (0.34) | CYP1B1ALDH1A1HIF1AHSD17B10POLB | |
| SCHEMBL233119 | 0.74 | ALDH1A1 (0.42) | CYP1B1ALDH1A1HIF1AHSD17B10HPGD | |
| SCHEMBL4556150 | 0.67 | — | — | |
| SCHEMBL456160 | 0.66 | DRD2 (0.33) | — | |
| SCHEMBL15353127 | 0.66 | ALDH1A1 (0.40) | CYP1B1ALDH1A1HIF1AHSD17B10POLB | |
| SCHEMBL20562879 | 0.66 | CA1 (0.40) | CYP1B1ALDH1A1HIF1AHSD17B10MAPT | |
| SCHEMBL456741 | 0.64 | KDM4E (0.31) | ALDH1A1HSD17B10MAPTHPGDTSHR | |
| SCHEMBL20562074 | 0.63 | BTK (0.36) | ALDH1A1HPGDCYP1A2 | |
| SCHEMBL4720998 | 0.62 | ALDH1A1 (0.32) | ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL458139 | 0.62 | — | — |
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-2892892-A1 | IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER | Janssen Pharmaceutica N.V. (BE) | 2015-07-15 | — | — | EP | disclosed |
| WO-2014039769-A1 | IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-13 | — | — | WO | disclosed |