Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28638941 | 0.86 | S1PR1 (0.46) | HSD11B1NPC1RAB9ASMN1; SMN2S1PR1 | |
| SCHEMBL4741601 | 0.86 | S1PR1 (0.52) | S1PR1S1PR3S1PR5MAP4K4MINK1 | |
| SCHEMBL28636374 | 0.85 | RAB9A (0.49) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL28636386 | 0.84 | NPC1 (0.49) | HSD11B1NPC1RAB9AMEN1CYP1A2 | |
| SCHEMBL28656533 | 0.84 | S1PR1 (0.57) | S1PR1S1PR3S1PR5MAP4K4MINK1 | |
| SCHEMBL19287102 | 0.83 | TYR (0.56) | TYRNPC1RAB9AMEN1CYP1A2 | |
| SCHEMBL28657010 | 0.80 | S1PR1 (0.55) | S1PR1S1PR3S1PR5 | |
| SCHEMBL28636371 | 0.80 | MAOA (0.44) | NPC1RAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL1964923 | 0.78 | S1PR1 (0.53) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28638111 | 0.77 | S1PR1 (0.57) | S1PR1S1PR3S1PR5 |
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-109956912-B | Carboxylic acid compound containing diphenyl oxadiazole, preparation method and medical application thereof | 中国医学科学院药物研究所 | 2021-10-22 | — | — | CN | disclosed |