Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16111678 | 0.91 | — | — | |
| SCHEMBL4533910 | 0.82 | — | — | |
| SCHEMBL21127531 | 0.82 | CA1 (0.42) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL16024409 | 0.82 | CA1 (0.42) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL7753537 | 0.79 | ALDH1A1 (0.39) | GBA1ALDH1A1ALDH1A2ALDH2ALDH1A3 | |
| SCHEMBL17453129 | 0.75 | EPHX2 (0.39) | CA12CA1CA2CA9TSHR | |
| SCHEMBL15328412 | 0.74 | ALDH1A1 (0.43) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL6833402 | 0.73 | CA1 (0.58) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL11809606 | 0.73 | PAOX (0.52) | CA12CA1CA2CA9TSHR | |
| SCHEMBL17415916 | 0.73 | PAOX (0.52) | CA12CA1CA2CA9TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111187189-A | Method for preparing mercapto carboxylic acid or derivatives thereof by aminolysis of thiourea carboxylic acid or derivatives thereof | 姚文刚 | 2020-05-22 | — | — | CN | disclosed |
| EP-0957905-A4 | PROCESS FOR THE PREPARATION OF POLYAMINES AND POLYAMINE DERIVATIVES | CHEM MASTER INTERNATIONAL INC (US) | 2005-02-02 | — | — | EP | disclosed |
| US-6258976-B1 | COUPLING AN ISOCYANATE COMPOUND WITH AN AMINE | CHEM-MASTER INTERNATIONAL, INC. | 2001-07-10 | — | — | US | disclosed |
| EP-0957905-A1 | PROCESS FOR THE PREPARATION OF POLYAMINES AND POLYAMINE DERIVATIVES | Chem-Master International, Inc. (US) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998052552-A1 | PROCESS FOR THE PREPARATION OF POLYAMINES AND POLYAMINE DERIVATIVES | CHEM-MASTER INTERNATIONAL, INC. (US) | 1998-11-26 | — | — | WO | disclosed |