Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16056542 | 0.80 | CYP3A4 (0.48) | CYP3A4NPC1RAB9ATDP1MAPK1 | |
| SCHEMBL7349445 | 0.77 | CA3 (0.32) | CYP3A4TDP1 | |
| SCHEMBL4406585 | 0.77 | CYP3A4 (0.45) | CYP3A4NPC1RAB9ATDP1MAPK1 | |
| SCHEMBL743497 | 0.76 | CA12 (0.43) | CYP3A4MAPK1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL2154934 | 0.76 | ALDH1A1 (0.38) | CYP3A4ALDH1A1HPGDGAACYP1A1 | |
| SCHEMBL27542323 | 0.74 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL29053725 | 0.74 | IDO1 (0.33) | TDP1ALDH1A1MEN1MAPTRECQL | |
| SCHEMBL4281437 | 0.73 | HDAC4 (0.40) | CYP3A4NPC1RAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL4437797 | 0.72 | LMNA (0.44) | CYP3A4RAB9ATDP1MAPK1ALDH1A1 | |
| SCHEMBL16720142 | 0.70 | BACE1 (0.46) | CYP3A4NPC1RAB9AMAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103539722-A | Aryl-substituted methyl-connected bis-indoleacetic acid derivative and preparation method and application thereof | UNIVISION PHARMACEUTICAL CO LTD | 2014-01-29 | — | — | CN | disclosed |