Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | PPIA | P62937 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL9811069 | 0.78 | PPIA (0.43) | CHRNB2CHRNA4KDM1AKDM1BPPIA | |
| SCHEMBL27448955 | 0.76 | CHRNB2 (0.37) | CHRNB2CHRNA4KDM1AKDM1BHTR2C | |
| Ammonia Solution, Strong SCHEMBL19066104 | 0.70 | HTR2C (0.31) | KDM1AKDM1BHTR2CHTR2B | |
| SCHEMBL28166381 | 0.70 | CHRNB2 (0.35) | CHRNB2CHRNA4KDM1AKDM1BHTR2C | |
| SCHEMBL4011644 | 0.64 | HTR7 (0.30) | HTR2B | |
| SCHEMBL25047082 | 0.64 | CHRNB2 (0.65) | CHRNB2CHRNA4KDM1AKDM1BHTR2C | |
| SCHEMBL13224382 | 0.64 | CHRNB2 (0.42) | CHRNB2CHRNA4KDM1AKDM1BHTR2C | |
| SCHEMBL4404195 | 0.64 | CHRNB2 (0.46) | CHRNB2CHRNA4KDM1AKDM1BHTR2C | |
| SCHEMBL17193859 | 0.64 | CHRNB2 (0.38) | CHRNB2CHRNA4KDM1AKDM1BHTR2C | |
| SCHEMBL10994234 | 0.63 | ABCB1 (0.60) | CHRNB2CHRNA4HTR2CHTR2BCES2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458868-A | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | WO | disclosed |
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| EP-0946549-A1 | COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1999-10-06 | — | — | EP | disclosed |
| EP-0938676-A1 | COMBINATORIAL PROCESS FOR PREPARING THIAZOLIDINONE LIBRARIES | ELI LILLY AND COMPANY (US) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998027087-A1 | COMBINATORIAL PROCESS FOR PREPARING FUSED PYRIMIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-06-25 | — | — | WO | disclosed |
| WO-1998021584-A1 | COMBINATORIAL PROCESS FOR PREPARING THIAZOLIDINONE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-05-22 | — | — | WO | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |