Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.30 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.30 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7308037 | 0.95 | PKM (0.35) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL7313581 | 0.91 | ALDH1A1 (0.33) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7307068 | 0.91 | CYP1A2 (0.38) | CYP1A2MAPK1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL7305967 | 0.88 | KDM1A (0.34) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL7314586 | 0.88 | MAOB (0.37) | CYP1A2MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL7317073 | 0.88 | MEN1 (0.33) | SMN1; SMN2ALDH1A1MEN1KMT2APKM | |
| SCHEMBL7303867 | 0.87 | SMN1; SMN2 (0.38) | CYP1A2MAPK1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL7311142 | 0.86 | GLA (0.34) | CYP1A2MAPK1SMN1; SMN2PTGER4PTGER3 | |
| SCHEMBL7314712 | 0.86 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7313428 | 0.85 | CYP1A2 (0.37) | CYP1A2MAPK1SMN1; SMN2KDM1A |
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-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |