Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9579178 | 0.87 | RAB9A (0.54) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| Methyl Alcohol SCHEMBL28009509 | 0.85 | RAB9A (0.61) | RAB9AKMT2AMEN1NPC1ATM | |
| SCHEMBL30736102 | 0.85 | — | — | |
| SCHEMBL177744 | 0.85 | — | — | |
| SCHEMBL8851232 | 0.84 | RAB9A (0.50) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL8939838 | 0.84 | RAB9A (0.50) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| SCHEMBL8851333 | 0.84 | RAB9A (0.50) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| Bromide SCHEMBL17845857 | 0.83 | ALDH1A1 (0.59) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL4201173 | 0.83 | ALDH1A1 (0.59) | ALDH1A1RAB9AKMT2AMEN1NPC1 | |
| Iodide SCHEMBL28203944 | 0.83 | ALDH1A1 (0.59) | ALDH1A1RAB9AKMT2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1686116-B1 | PROCESS FOR PRODUCTION OF PYRIDYLETHYLTHIO COMPOUNDS, MODIFIED ION EXCHANGERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF BISPHENOLS | MITSUBISHI CHEM CORP (JP) | 2018-02-14 | — | — | EP | claimed |