Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL17495601 | 0.89 | NAPRT (0.54) | ALDH1A1KMT2AMEN1SRD5A2LMNA | |
| Benzamide SCHEMBL19667939 | 0.85 | POLB (0.57) | ALDH1A1KMT2AMEN1TDP1L3MBTL1 | |
| Acetophenone SCHEMBL16114519 | 0.85 | SMN1; SMN2 (0.46) | ALDH1A1KMT2AMEN1L3MBTL1RAB9A | |
| SCHEMBL28106267 | 0.85 | POLB (0.57) | ALDH1A1KMT2AMEN1SRD5A2TDP1 | |
| SCHEMBL28061261 | 0.84 | KMT2A (0.33) | ALDH1A1KMT2AMEN1LMNAHPGD | |
| SCHEMBL27970673 | 0.84 | KMT2A (0.33) | ALDH1A1KMT2AMEN1LMNAHPGD | |
| SCHEMBL28016232 | 0.82 | MEN1 (0.32) | ALDH1A1KMT2AMEN1LMNA | |
| Phenylglyoxal SCHEMBL23748334 | 0.82 | ALDH1A1 (0.60) | ALDH1A1KMT2AMEN1TDP1RAB9A | |
| Benzoic Acid SCHEMBL380582 | 0.82 | NAPRT (0.47) | ALDH1A1KMT2AMEN1SRD5A2TDP1 | |
| Methyl Benzoate SCHEMBL27988280 | 0.82 | TSHR (0.63) | ALDH1A1KMT2AMEN1TDP1L3MBTL1 |
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-101440066-A | Benzodiazepinic amine nitrite compound, preparation and use thereof | QILU TIANHEHUISHI PHARMACEUTIC (CN) | 2009-05-27 | — | — | CN | disclosed |