Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | AHR | P35869 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL24474003 | 1.00 | SMO (0.63) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL31025870 | 0.83 | AHR (0.69) | RAB9AKMT2ANPC1MEN1POLB | |
| SCHEMBL30587146 | 0.81 | SMO (0.65) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL24474056 | 0.81 | SMO (0.65) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL8770855 | 0.79 | NPC1 (0.74) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL24474001 | 0.78 | SMN1; SMN2 (0.67) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL24473983 | 0.78 | NPC1 (0.61) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL30587155 | 0.78 | NPC1 (0.61) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL24474006 | 0.78 | SMO (0.65) | SMOHSD17B10TSHRUSP2MAPK1 | |
| SCHEMBL16384061 | 0.77 | SMO (1.00) | SMOHSD17B10TSHRUSP2MAPK1 |
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-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 |