Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 6/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9715956 | 0.86 | IDO1 (0.38) | ALDH1A1L3MBTL1IDO1TSHRUSP2 | |
| SCHEMBL9715930 | 0.83 | IDO1 (0.37) | ALDH1A1IDO1TSHRUSP2HPGD | |
| SCHEMBL9715954 | 0.83 | POLB (0.39) | ALDH1A1L3MBTL1IDO1TSHRUSP2 | |
| SCHEMBL9715971 | 0.80 | CYP2A6 (0.41) | HPGDMIFPOLB | |
| SCHEMBL9715967 | 0.79 | MEN1 (0.36) | ALDH1A1IDO1TSHRUSP2HPGD | |
| SCHEMBL9716043 | 0.78 | CYP2A6 (0.46) | ALDH1A1L3MBTL1TSHRHPGDNPSR1 | |
| SCHEMBL10809038 | 0.77 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1IDO1TP53SMN1; SMN2 | |
| SCHEMBL9715933 | 0.77 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1IDO1TP53SMN1; SMN2 | |
| SCHEMBL536696 | 0.76 | MAPK1 (0.62) | ALDH1A1L3MBTL1IDO1SMN1; SMN2TSHR | |
| SCHEMBL9715996 | 0.74 | KMO (0.54) | ALDH1A1L3MBTL1IDO1TSHR |
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-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |