Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.34 |
| ▸ | CDC25A | P30304 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16044746 | 0.82 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KMT2AGAAMAP2K7 | |
| SCHEMBL29415231 | 0.82 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KMT2AGAAMAP2K7 | |
| SCHEMBL8412436 | 0.81 | S100A4 (0.37) | ALDH1A1GAAMAP2K7CDC25ACDC25B | |
| SCHEMBL5695852 | 0.79 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KMT2AGAACA12 | |
| SCHEMBL19014101 | 0.76 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KMT2AGAAMAP2K7 | |
| SCHEMBL4936612 | 0.76 | MEN1 (0.44) | ALDH1A1SMN1; SMN2KMT2AGAALMNA | |
| SCHEMBL8410786 | 0.75 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2KMT2ALMNANPSR1 | |
| SCHEMBL8735691 | 0.75 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL8409266 | 0.74 | HSD11B1 (0.42) | ALDH1A1KMT2AGAA | |
| SCHEMBL20414679 | 0.74 | CA1 (0.50) | KMT2ACA1CA2NPSR1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708087-B1 | Method for making a substituted benzene compound | ROHM & HAAS (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5670691-A | REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE | ROHM AND HAAS COMPANY (US) | 1997-09-23 | — | — | US | disclosed |
| EP-0708087-A1 | Method for making a substituted benzene compound | ROHM AND HAAS COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |