Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.60 |
| ▸ | HPGD | P15428 | 9/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.60 |
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.56 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL24473982 | 1.00 | ALDH1A1 (0.60) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL26078553 | 0.85 | ALDH1A1 (0.64) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL3373348 | 0.84 | KCNK3 (0.74) | NPC1RAB9ASMN1; SMN2KCNK3KCNK9 | |
| SCHEMBL30587153 | 0.83 | TSHR (0.64) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL24473977 | 0.83 | TSHR (0.64) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL24474001 | 0.80 | SMN1; SMN2 (0.67) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL18886198 | 0.79 | KCNK3 (0.70) | ALDH1A1HPGDTSHRNPC1RAB9A | |
| SCHEMBL8770856 | 0.79 | KDM4E (0.83) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL8770855 | 0.78 | NPC1 (0.74) | ALDH1A1HPGDHSD17B10TSHRNPC1 | |
| SCHEMBL26078526 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HPGDHSD17B10TSHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116457353-A | N-substituted 4- (5-phenyl-1, 3, 4-oxadiazol-2-yl) anilines for the treatment and prophylaxis of hepatitis b virus infections | 豪夫迈·罗氏有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-116457353-A | N-substituted 4- (5-phenyl-1, 3, 4-oxadiazol-2-yl) anilines for the treatment and prophylaxis of hepatitis b virus infections | 豪夫迈·罗氏有限公司 | 2023-07-18 | — | — | CN | disclosed |