Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18417652 | 0.79 | KDM4E (0.52) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL8404469 | 0.79 | CYP2A6 (0.44) | ALDH1A1TSHRKDM4EKMT2AMEN1 | |
| SCHEMBL29314361 | 0.76 | NOS1 (0.33) | CYP1A2 | |
| SCHEMBL14783297 | 0.76 | NR4A2 (0.42) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL18417653 | 0.75 | KDM4E (0.44) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL17195506 | 0.68 | KDM4E (0.48) | ALDH1A1HSD17B10CYP3A4HPGDTDP1 | |
| SCHEMBL14980112 | 0.67 | CYP2A6 (0.38) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL19198961 | 0.66 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CYP3A4HPGDTSHR | |
| SCHEMBL12329 | 0.66 | MAPT (0.56) | ALDH1A1HSD17B10KDM4EMAPTPOLB | |
| SCHEMBL9350163 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP3A4HPGDTSHR |
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-2004024710-A1 | UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN | GLAXO GROUP LIMITED (GB) | 2004-03-25 | — | — | WO | disclosed |