Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 9/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10987766 | 1.00 | CYP2C9 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9333494 | 0.99 | CYP2C9 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL10983012 | 0.99 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL10983010 | 0.99 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL10985881 | 0.99 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL10985886 | 0.99 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9335785 | 0.97 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9335338 | 0.97 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9332952 | 0.97 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL10988673 | 0.95 | CYP2C9 (0.44) | CYP2C9MEN1KMT2AMAPTALDH1A1 |
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-4528114-A | Acetylenes | HOFFMANN-LA ROCHE INC. (US) | 1985-07-09 | — | — | US | disclosed |