Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ECE1 | P42892 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2583325 | 0.80 | HDAC1 (0.51) | HDAC1HDAC6ECE1 | |
| SCHEMBL15522839 | 0.70 | HDAC1 (0.55) | HDAC1HDAC6 | |
| SCHEMBL28353517 | 0.70 | HTR2A (0.64) | HDAC1HDAC6HTR2ALOXL2IDO1 | |
| SCHEMBL54347 | 0.69 | HTR2A (0.70) | HDAC1HDAC6HTR2ALOXL2IDO1 | |
| SCHEMBL24075310 | 0.69 | HDAC1 (0.40) | HDAC1HDAC6CYP2D6NOS1MAOA | |
| SCHEMBL25714676 | 0.69 | HDAC1 (0.40) | HDAC1HDAC6CYP2D6NOS1MAOA | |
| SCHEMBL1809552 | 0.69 | HDAC1 (0.51) | HDAC1HDAC6CYP2D6NOS1LOXL2 | |
| SCHEMBL29268834 | 0.67 | HTR2A (0.67) | HDAC1HDAC6HTR2ALOXL2IDO1 | |
| SCHEMBL10831414 | 0.67 | HTR2A (0.67) | HDAC1HDAC6HTR2ALOXL2IDO1 | |
| Ammonia Solution, Strong SCHEMBL8817973 | 0.67 | HTR2A (0.67) | HDAC1HDAC6HTR2ALOXL2IDO1 |
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-102936727-A | Corrosion inhibitor for closed system | TANGSHAN JINSHA WATER TREAT COMPANY LTD | 2013-02-20 | — | — | CN | disclosed |