Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CBFB | Q13951 | 1/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 7/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.46 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | PTPRF | P10586 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305942 | 0.87 | PDE3B (0.46) | CBFBPDE3BPDE3AHDAC3HDAC1 | |
| SCHEMBL2108226 | 0.84 | CYP3A4 (0.49) | CBFBCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL916533 | 0.81 | NPC1 (0.58) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL29770426 | 0.81 | NPC1 (0.58) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9305034 | 0.81 | CBFB (0.56) | CBFBPDE3BPDE3AHDAC3HDAC1 | |
| SCHEMBL9148442 | 0.80 | NPC1 (0.56) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL28679041 | 0.80 | NPC1 (0.56) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL26189984 | 0.78 | NPC1 (0.40) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL16208344 | 0.78 | RAB9A (0.49) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL4591067 | 0.77 | NPC1 (0.47) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 7 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 |
| EP-0161220-B1 | PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-14 | — | — | EP | disclosed |
| US-4652653-A | Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio)-carboxylic acid derivatives | CIBA-GEIGY CORPORATION (US) | 1987-03-24 | — | — | US | disclosed |
| US-4612378-A | Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |
| EP-0161220-A2 | Process for the preparation of beta-(benzothiazolylthio) and beta (benzimidazolylthio)carboxylic-acid derivatives | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |
| EP-0126030-A2 | Process for the preparation of beta-(benzothiazolylthio) and beta-(benzimidazolylthio) carboxylic acids | CIBA-GEIGY AG (CH) | 1984-11-21 | — | — | EP | disclosed |