Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL9866262 | 0.77 | KDM4E (0.46) | ALDH1A1GFERSMN1; SMN2KDM4EMEN1 | |
| 4-(Isobutylsulfonyl)Pyridin-2-Yl Methanesulfonate SCHEMBL10462154 | 0.77 | PTGDR2 (0.33) | SMN1; SMN2KDM4E | |
| SCHEMBL25820335 | 0.75 | GFER (0.46) | ALDH1A1GFERTP53SMN1; SMN2CA12 | |
| SCHEMBL9868000 | 0.75 | ALDH1A1 (0.51) | ALDH1A1GFERTP53SMN1; SMN2CA12 | |
| SCHEMBL9866621 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GFERNPSR1 | |
| SCHEMBL9867987 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GFERTP53SMN1; SMN2CA12 | |
| SCHEMBL19935777 | 0.70 | GFER (0.39) | ALDH1A1GFERTP53SMN1; SMN2CA12 | |
| SCHEMBL20088827 | 0.70 | NAMPT (0.55) | ALDH1A1GFERSMN1; SMN2NPSR1MEN1 | |
| SCHEMBL9867057 | 0.69 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2KDM4ENPSR1MEN1 | |
| 4-(Isobutylthio)Pyridin-2-Yl Methanesulfonate SCHEMBL10462292 | 0.68 | TSHR (0.35) | ALDH1A1CA12CA2KDM4ENPSR1 |
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-4987141-A | DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-22 | — | — | US | disclosed |