Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7749490 | 0.74 | VCAM1 (0.42) | ALDH1A1GAALMNAPDK1VCAM1 | |
| SCHEMBL7749482 | 0.74 | VCAM1 (0.42) | ALDH1A1GAALMNAPDK1VCAM1 | |
| SCHEMBL10254321 | 0.73 | THRB (0.40) | ALDH1A1GAAHPGDLMNASMN1; SMN2 | |
| SCHEMBL1716247 | 0.73 | SMN1; SMN2 (0.45) | ALDH1A1HCAR3SMN1; SMN2CYP1A2TSHR | |
| SCHEMBL9050390 | 0.72 | GPR35 (0.43) | ALDH1A1PDK1VCAM1TSHRCYP3A4 | |
| SCHEMBL11105264 | 0.72 | PDK1 (0.49) | ALDH1A1PDK1VCAM1TSHRCYP3A4 | |
| SCHEMBL16117944 | 0.72 | GRIA2 (0.43) | ALDH1A1GAALMNAVCAM1CYP1A2 | |
| SCHEMBL9975340 | 0.70 | ALDH1A1 (0.40) | ALDH1A1GAAHPGDLMNAHCAR3 | |
| SCHEMBL7749609 | 0.70 | ALDH1A1 (0.40) | ALDH1A1GAAHPGDLMNASMN1; SMN2 | |
| SCHEMBL4482651 | 0.70 | VCAM1 (0.53) | ALDH1A1GAAHPGDLMNASMN1; SMN2 |
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-3004047-B1 | COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF | ANTHEM BIOSCIENCES PVT LTD (IN) | 2017-02-22 | — | — | EP | disclosed |