Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | GUSB | P08236 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28412208 | 0.79 | PSMD14 (0.33) | ALDH1A1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL4314005 | 0.79 | ACHE (0.46) | ACHEALDH1A1GAAMAPTRAB9A | |
| Bromide SCHEMBL11628989 | 0.78 | ACHE (0.45) | ACHEALDH1A1GAAMAPTRAB9A | |
| SCHEMBL9187598 | 0.76 | MAPT (0.37) | ALDH1A1GAAMAPTRAB9AKMT2A | |
| SCHEMBL110725 | 0.76 | ALDH1A1 (0.41) | ALDH1A1GAAMAPTRAB9ANPSR1 | |
| SCHEMBL9305473 | 0.76 | ACHE (0.43) | ACHEALDH1A1GAAMAPTRAB9A | |
| SCHEMBL9306736 | 0.76 | CA12 (0.40) | ALDH1A1MAPTRAB9AKDM4EHPGD | |
| SCHEMBL9305370 | 0.76 | NOS1 (0.41) | KMT2AGUSB | |
| SCHEMBL21708401 | 0.76 | ALDH1A1 (0.48) | ACHEALDH1A1GAAMAPTRAB9A | |
| SCHEMBL4612577 | 0.76 | PARP1 (0.50) | ACHEALDH1A1GAAMAPTRAB9A |
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 6 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-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 |