Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.46 |
| ▸ | CA9 | Q16790 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7247717 | 0.84 | TSHR (0.42) | CA12CA9ALDH1A1MAPTCYP1A2 | |
| SCHEMBL7250245 | 0.81 | HPGD (0.38) | ALDH1A1MAPTHPGDPLA2G1BATG4B | |
| SCHEMBL7221367 | 0.80 | CA12 (0.50) | CA12CA9ALDH1A1MAPTCYP1A2 | |
| SCHEMBL5211708 | 0.80 | KDM4E (0.39) | CA12CA9MEN1KMT2AALDH1A1 | |
| SCHEMBL7931723 | 0.80 | POLB (0.41) | CA12CA9MEN1KMT2AALDH1A1 | |
| SCHEMBL8651466 | 0.80 | ALOX5 (0.38) | ALDH1A1MAPTPOLBCYP2C19HPGD | |
| SCHEMBL7385174 | 0.78 | ALDH1A1 (0.42) | CA12CA9ALDH1A1MAPTCYP1A2 | |
| SCHEMBL7683946 | 0.76 | KDM4E (0.43) | CA12CA9MAPTCYP1A2CYP2C19 | |
| SCHEMBL7911204 | 0.74 | CA12 (0.50) | CA12CA9ALDH1A1HPGDTSHR | |
| SCHEMBL31090834 | 0.74 | CA12 (0.50) | CA12CA9ALDH1A1HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6566535-B1 | Causing an orthohalogenobenzaldehyde or derivative to react with a propanethiol having an electron-attracting group at its 4- position. | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-20 | — | — | US | disclosed |
| EP-1184381-A1 | PROCESSES FOR THE PREPARATION OF 2,3-DIHYDROTHIEPINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-03-06 | — | — | EP | disclosed |
| WO-1998055475-A1 | GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-10 | — | — | WO | disclosed |