Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8991922 | 0.89 | ALDH1A1 (0.52) | ALDH1A1LMNANPSR1RAB9ASMN1; SMN2 | |
| SCHEMBL9346891 | 0.85 | KDM4E (0.44) | ALDH1A1LMNAL3MBTL1SMN1; SMN2ATM | |
| Dimethylamine SCHEMBL9346894 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAL3MBTL1NPSR1RAB9A | |
| SCHEMBL29204387 | 0.84 | ALDH1A1 (0.51) | ALDH1A1LMNAL3MBTL1NPSR1GLA | |
| SCHEMBL21707979 | 0.82 | MAPT (0.60) | ALDH1A1LMNAL3MBTL1NPSR1GLA | |
| SCHEMBL137523 | 0.81 | SIRT6 (0.56) | ALDH1A1L3MBTL1SMN1; SMN2ATMTDP1 | |
| SCHEMBL31548078 | 0.81 | SIRT6 (0.56) | ALDH1A1L3MBTL1SMN1; SMN2ATMTDP1 | |
| SCHEMBL28587738 | 0.80 | ALDH1A1 (0.41) | ALDH1A1LMNAL3MBTL1NPSR1GLA | |
| SCHEMBL1928460 | 0.80 | ALDH1A1 (0.68) | ALDH1A1LMNAL3MBTL1NPSR1GLA | |
| SCHEMBL8759316 | 0.80 | CYP3A4 (0.49) | ALDH1A1L3MBTL1SMN1; SMN2ATMTDP1 |
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-5543550-A | NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-06 | — | — | US | disclosed |