Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4541353 | 0.92 | ALDH1A1 (0.35) | ALDH1A1TSHRHTTSMN1; SMN2POLB | |
| SCHEMBL3425268 | 0.83 | POLB (0.34) | ALDH1A1SMN1; SMN2POLBPTGS1PTGS2 | |
| SCHEMBL3423970 | 0.79 | LNPEP (0.39) | TSHRSMN1; SMN2KDM4ECYP3A4CYP2C19 | |
| SCHEMBL3400203 | 0.74 | NOS3 (0.32) | ALDH1A1TSHRSMN1; SMN2POLBCYP3A4 | |
| SCHEMBL19118683 | 0.74 | HTT (0.38) | ALDH1A1TSHRHTTPOLBMAPT | |
| SCHEMBL3399473 | 0.73 | CYP3A4 (0.37) | ALDH1A1TSHRPOLBCYP3A4TP53 | |
| SCHEMBL3400159 | 0.72 | — | — | |
| SCHEMBL19119128 | 0.72 | PTGS1 (0.34) | TSHRPTGS1PTGS2PNP | |
| SCHEMBL3425406 | 0.72 | ALDH1A1 (0.33) | ALDH1A1TSHRHTTSMN1; SMN2PTGS1 | |
| SCHEMBL19118684 | 0.70 | SKP2 (0.35) | — |
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-2245123-B1 | METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS | CHEMTURA CORP (US) | 2017-07-19 | — | — | EP | disclosed |