Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL28021426 | 0.86 | ALDH1A1 (0.41) | ALDH1A1HTR2CHTR1ASLC6A2SLC6A3 | |
| Fluorobenzene SCHEMBL28021467 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HTR2CHTR1ASLC6A2SLC6A3 | |
| Piperidine SCHEMBL28820787 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HTR2CSLC6A2SLC6A3SLC6A4 | |
| Piperidine SCHEMBL28021843 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HTR2CHTR1ASLC6A2HTR7 | |
| Piperidine SCHEMBL28021838 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SLC6A2SLC6A3SLC6A4KDM1A | |
| Piperidine SCHEMBL28021397 | 0.78 | KDM4E (0.38) | ALDH1A1SLC6A2SLC6A3SLC6A4KDM1A | |
| Piperidine SCHEMBL28021394 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HTR2CHTR1ASLC6A2SLC6A3 | |
| Naphthalene SCHEMBL8367849 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HTR2CHTR1ASLC6A2SLC6A3 | |
| Triphenylene SCHEMBL27987520 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HTR2CHTR1AHTR7 | |
| Methane SCHEMBL27721780 | 0.74 | — | — |
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-104744613-A | Half-metallocene catalyst containing fluorobenzene amidine, preparation method and application thereof | SUZHOU APAC BIOLOG SCIENCE & TECHNOLOGY CO LTD | 2015-07-01 | — | — | CN | claimed |