Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | HTT | P42858 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HRH2 | P25021 | 4/20 | 0.50 |
| ▸ | HRH1 | P35367 | 4/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9242962 | 1.00 | ALDH1A1 (0.62) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| Hydrochloric Acid SCHEMBL10760926 | 0.98 | ALDH1A1 (0.61) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL3270714 | 0.89 | ALDH1A1 (0.59) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL46979 | 0.85 | SMN1; SMN2 (0.56) | ALDH1A1HTTSMN1; SMN2POLBMAPT | |
| SCHEMBL9051052 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL6316085 | 0.83 | CYP2D6 (0.42) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL13845058 | 0.83 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| Hydrochloric Acid SCHEMBL27445572 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL18482713 | 0.83 | HRH2 (0.47) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| SCHEMBL10985089 | 0.82 | ALDH1A1 (0.72) | ALDH1A1HTTSMN1; SMN2POLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4243805-A | 3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof | SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) | 1981-01-06 | — | — | US | disclosed |