Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | SULT1A1 | P50225 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28213771 | 0.83 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP3A4KMT2APKM | |
| SCHEMBL20305619 | 0.81 | ALOX5 (0.46) | ALDH1A1MAPTCYP3A4ALOX5PTGS2 | |
| SCHEMBL10575465 | 0.81 | ALDH1A1 (0.58) | ALDH1A1MAPTCYP3A4KMT2APKM | |
| SCHEMBL9305803 | 0.80 | MAPT (0.41) | ALDH1A1MAPTCYP3A4ALOX5PTGS2 | |
| SCHEMBL12596668 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP3A4KMT2APKM | |
| SCHEMBL31296504 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MAPTCYP3A4KMT2APKM | |
| SCHEMBL20319227 | 0.80 | CYP3A4 (0.57) | ALDH1A1MAPTCYP3A4ALOX5PTGS2 | |
| SCHEMBL20554083 | 0.78 | ALDH1A1 (0.51) | ALDH1A1PTGS2PKM | |
| SCHEMBL20305347 | 0.78 | F2RL3 (0.44) | ALDH1A1MAPTCYP3A4ALOX5PTGS2 | |
| SCHEMBL30189784 | 0.77 | CYP3A4 (0.43) | ALDH1A1MAPTCYP3A4KMT2AESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-B1 | HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS | CIBA-GEIGY AG (CH) | 1991-03-06 | — | — | EP | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |