Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9266440 | 0.86 | ALDH1A1 (0.40) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9266436 | 0.86 | ALDH1A1 (0.40) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9265558 | 0.83 | SMN1; SMN2 (0.38) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9265560 | 0.83 | SMN1; SMN2 (0.38) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9945426 | 0.79 | KDM4E (0.49) | KDM4EALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL877005 | 0.79 | KMT2A (0.46) | KDM4ECYP3A4ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1135430 | 0.73 | GPR35 (0.51) | GPR35KDM4EALDH1A1LMNASMN1; SMN2 | |
| Bicarbonate SCHEMBL19210824 | 0.72 | GPR35 (0.47) | GPR35KDM4EALDH1A1LMNATP53 | |
| SCHEMBL9428514 | 0.71 | TDP1 (0.43) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL10211388 | 0.71 | TDP1 (0.40) | KDM4ECYP3A4ALDH1A1CYP1A2CYP2D6 |
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-3081214-A2 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2016-10-19 | — | — | EP | disclosed |