Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ILK | Q13418 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | KDM4B | O94953 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6275004 | 0.87 | DYRK1A (0.58) | NPC1RAB9ASMN1; SMN2DYRK1AKDM4E | |
| SCHEMBL2031602 | 0.85 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2HDAC6KDM4E | |
| SCHEMBL19029338 | 0.81 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL24052275 | 0.80 | NPC1 (0.76) | NPC1RAB9ASMN1; SMN2DYRK1AALDH1A1 | |
| SCHEMBL1748371 | 0.80 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL9734141 | 0.80 | THRB (0.56) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL9305296 | 0.80 | PIK3CA (0.50) | NPC1RAB9ASMN1; SMN2HDAC6KDM4E | |
| SCHEMBL10760937 | 0.77 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL30874473 | 0.76 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2DYRK1AHDAC6 | |
| SCHEMBL10880169 | 0.76 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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 9 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-0161220-B1 | PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-14 | — | — | EP | disclosed |
| EP-0129506-B1 | HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS | CIBA-GEIGY AG (CH) | 1991-03-06 | — | — | 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 |