Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.40 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27564437 | 0.79 | KMT2A (0.44) | ALDH1A1KMT2APOLBKDM4EKCNQ3 | |
| SCHEMBL1970751 | 0.76 | KDM4E (0.43) | ALDH1A1KMT2AKDM4ECYP1A2HPGD | |
| SCHEMBL27584490 | 0.74 | MAPT (0.44) | ALDH1A1KMT2ANPC1POLBKDM4E | |
| SCHEMBL27564880 | 0.72 | MAPT (0.42) | ALDH1A1KMT2ANPC1POLBKDM4E | |
| SCHEMBL28750125 | 0.71 | ALDH1A1 (0.49) | ALDH1A1NPC1POLBKDM4EGLA | |
| SCHEMBL27584308 | 0.71 | HTT (0.44) | ALDH1A1KMT2ANPC1POLBKDM4E | |
| SCHEMBL27564521 | 0.71 | ALDH1A1 (0.38) | ALDH1A1KMT2AGAACYP1A2CYP2C9 | |
| SCHEMBL10717894 | 0.71 | ALDH1A1 (0.46) | ALDH1A1KMT2APOLBKCNQ3KCNQ2 | |
| SCHEMBL20078909 | 0.69 | KMT2A (0.50) | ALDH1A1KMT2ANPC1POLBKDM4E | |
| SCHEMBL8392811 | 0.69 | KMT2A (0.46) | ALDH1A1KMT2APOLBKDM4EGLA |
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-101006063-B | Five-membered heterocycles useful as serine protease inhibitors. | BRISTOL MYERS SQUIBB CO | 2013-07-17 | — | — | CN | disclosed |
| CN-101006063-A | Five-membered heterocycles useful as serine protease inhibitors. | BRISTOL MYERS SQUIBB CO (US) | 2007-07-25 | — | — | CN | disclosed |