Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 2/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7972525 | 0.85 | CYP1A2 (0.41) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL7974002 | 0.77 | ALDH1A1 (0.37) | NPC1RAB9AKDM4EGPR3ALDH1A1 | |
| SCHEMBL4848335 | 0.77 | NCF1 (0.32) | NPC1RAB9AKDM4EGPR3ALDH1A1 | |
| SCHEMBL3569692 | 0.77 | HTT (0.41) | NPC1RAB9APKMKDM4EMEN1 | |
| SCHEMBL4573051 | 0.74 | GPR3 (0.39) | CYP1A2KDM4EGPR3HRH4ALDH1A1 | |
| SCHEMBL1071858 | 0.71 | CYP1A2 (0.46) | CYP1A2RAB9AKDM4ECYP2A6 | |
| SCHEMBL28571 | 0.70 | PDE10A (0.52) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| Water SCHEMBL16742371 | 0.69 | PDE10A (0.50) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| Ethane SCHEMBL11413846 | 0.69 | PDE10A (0.50) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL31311 | 0.69 | MAPT (0.39) | KDM4EMEN1ALDH1A1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6268514-B1 | TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-31 | — | — | US | disclosed |
| EP-1085895-A1 | BRADYKININ ANTAGONISTS | Advanced Medicine, Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064039-A9 | BRADYKININ ANTAGONISTS | ADVANCED MEDICINE INC (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-1999064039-A1 | BRADYKININ ANTAGONISTS | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| CN-1036651-C | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMA CO LTD (JP) | 1997-12-10 | — | — | CN | disclosed |
| EP-0470514-B1 | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMA CO LTD (JP) | 1997-02-19 | — | — | EP | disclosed |
| CN-1058779-A | Carbostyril derivative and the pharmaceutical composition that contains this compound | OTSUKA PHARMA CO LTD (JP) | 1992-02-19 | — | — | CN | disclosed |
| EP-0470514-A1 | Carbostyril derivatives and pharmaceutical composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-02-12 | — | — | EP | disclosed |