Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.61 |
| ▸ | RAB9A | P51151 | 14/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.61 |
| ▸ | HPGD | P15428 | 7/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.61 |
| ▸ | RELA | Q04206 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 7/20 | 0.60 |
| ▸ | MECP2 | P51608 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL24473988 | 1.00 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL19859806 | 0.93 | ALDH1A1 (0.59) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL24623120 | 0.91 | ALDH1A1 (0.61) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL24623365 | 0.88 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL24474033 | 0.80 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL30587143 | 0.80 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL30587148 | 0.80 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL24474028 | 0.80 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL11479566 | 0.78 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL807858 | 0.78 | TDP1 (0.77) | NPC1RAB9ASMN1; SMN2HPGDMEN1 |
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 |