Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28498447 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL7973209 | 0.75 | CYP2A6 (0.50) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL4953238 | 0.73 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL7970007 | 0.72 | LMNA (0.57) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL4212837 | 0.71 | ATM (0.54) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL21921279 | 0.71 | ATM (0.48) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL30171037 | 0.71 | ATM (0.54) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL9185273 | 0.70 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AATMNPC1 | |
| SCHEMBL27945072 | 0.69 | NR4A2 (0.53) | ALDH1A1MEN1KMT2AATMNPC1 | |
| Hydrochloric Acid SCHEMBL27974088 | 0.68 | NR4A2 (0.51) | ALDH1A1MEN1KMT2AATMNPC1 |
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-104829597-B | 1H- indoles -2- carbohydrazide derivatives and its preparation method and application | 厦门大学 | 2018-07-17 | — | — | CN | disclosed |