Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.45 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29224118 | 1.00 | CYP1A2 (0.56) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL11032373 | 0.83 | CYP1A2 (0.54) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL2827536 | 0.78 | CYP1A2 (0.57) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL5873792 | 0.78 | LMNA (0.50) | MAPTCYP2C19KMT2AAKR1B1CA12 | |
| SCHEMBL8913575 | 0.77 | IDO1 (0.51) | KMT2AAKR1B1AKR1A1PGRHTR7 | |
| SCHEMBL2259304 | 0.77 | PGR (0.59) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| Hydrochloric Acid SCHEMBL8493528 | 0.76 | PGR (0.57) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL2268702 | 0.76 | CYP1A2 (0.63) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL1966160 | 0.75 | CYP1A2 (0.54) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 | |
| SCHEMBL24390021 | 0.74 | CYP1A2 (0.53) | CYP1A2MAPTCYP2C19KMT2AAKR1B1 |
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-112079764-B | Synthesis method of sunitinib intermediate 5-fluoroindol-2-one | 山东汇海医药化工有限公司 | 2023-08-01 | — | — | CN | disclosed |