Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | DEPTOR | Q8TB45 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30023958 | 0.80 | PTGS1 (0.57) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27601619 | 0.80 | CA2 (0.57) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12811024 | 0.80 | PTGS1 (0.57) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11237567 | 0.79 | ALDH1A1 (0.48) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9993451 | 0.77 | ALDH1A1 (0.53) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2566977 | 0.76 | ALDH1A1 (0.68) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL18412742 | 0.76 | ALDH1A1 (0.51) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL851628 | 0.75 | CES2 (0.46) | MEN1KMT2ARAB9APKMPTGS1 | |
| SCHEMBL16720320 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ESR1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1615445 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTPKM |
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-1303503-B1 | ANILINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | disclosed |
| EP-1311475-B1 | AMINOCYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-08-06 | — | — | EP | disclosed |
| EP-1358162-B1 | DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | disclosed |