Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6434486 | 0.85 | MEN1 (0.37) | MEN1KMT2AADRB3NOS1ELANE | |
| SCHEMBL4663219 | 0.85 | ALDH1A1 (0.43) | MEN1KMT2AADRB3NOS1ELANE | |
| SCHEMBL3091768 | 0.85 | ALDH1A1 (0.43) | MEN1KMT2AADRB3NOS1ELANE | |
| SCHEMBL31354980 | 0.85 | ALDH1A1 (0.43) | MEN1KMT2AADRB3NOS1ELANE | |
| SCHEMBL14743754 | 0.83 | NOS1 (0.39) | MEN1KMT2AADRB3NOS1ELANE | |
| SCHEMBL10513126 | 0.80 | FDPS (0.36) | MEN1KMT2AADRB3NOS1ALDH1A1 | |
| SCHEMBL30697576 | 0.80 | KMT2A (0.38) | MEN1KMT2AADRB3ALDH1A1TSHR | |
| SCHEMBL10362298 | 0.80 | KMT2A (0.38) | MEN1KMT2AADRB3ALDH1A1TSHR | |
| SCHEMBL19292029 | 0.80 | ADRB3 (0.41) | MEN1KMT2AADRB3NOS1ELANE | |
| SCHEMBL3138975 | 0.77 | NLRP3 (0.40) | MEN1KMT2AALDH1A1FDPSTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105209470-A | 6-bridged heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis b virus infection | HOFFMANN LA ROCHE | 2015-12-30 | — | — | CN | disclosed |
| CN-101212973-B | 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility | ORGANON NV | 2011-11-16 | — | — | CN | disclosed |
| CN-101212973-A | 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility | ORGANON NV (NL) | 2008-07-02 | — | — | CN | disclosed |