Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2153035 | 0.81 | MAPT (0.45) | HDAC1HDAC8HDAC6TRPA1CA1 | |
| SCHEMBL2153032 | 0.81 | MAPT (0.45) | HDAC1HDAC8HDAC6TRPA1CA1 | |
| SCHEMBL2153378 | 0.79 | MAOB (0.43) | HDAC1HDAC8HDAC6TSHRMAPT | |
| SCHEMBL2153381 | 0.79 | MAOB (0.43) | HDAC1HDAC8HDAC6TSHRMAPT | |
| SCHEMBL1627491 | 0.78 | AKR1C3 (0.57) | HDAC1HDAC8HDAC6TRPA1MAPT | |
| SCHEMBL1627492 | 0.78 | AKR1C3 (0.57) | HDAC1HDAC8HDAC6TRPA1MAPT | |
| SCHEMBL28803285 | 0.76 | MTNR1A (0.58) | HDAC8HDAC6CA4CA7MAPT | |
| SCHEMBL27922295 | 0.76 | KDM4E (0.54) | MAPTRAB9ANPC1MAOBLMNA | |
| SCHEMBL27904524 | 0.75 | KDM4E (0.38) | LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL14198039 | 0.74 | TRPA1 (0.55) | HDAC1HDAC8HDAC6TRPA1CA1 |
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-103087105-B | Chiral phosphine ligand and comprise the metal catalyst of this part and their application | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-08-05 | — | — | CN | disclosed |
| CN-103087105-A | Chiral phosphine ligand and metal catalyst comprising same and application of chiral phosphine ligand and metal catalyst | SHANGHAI INST ORGANIC CHEM | 2013-05-08 | — | — | CN | disclosed |