Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.32 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21278410 | 0.84 | ADORA2B (0.35) | ADORA2BDPP4TLR7PTPN11 | |
| SCHEMBL18017407 | 0.81 | MAPT (0.34) | DPP4PTPN11MAPTRAB9AKDM4E | |
| SCHEMBL18017384 | 0.79 | NPC1 (0.39) | DPP4PTPN11MAPTNPC1RAB9A | |
| SCHEMBL9963002 | 0.79 | CHRNB2 (0.40) | DPP4PTPN11MAPTKDM4EALDH1A1 | |
| SCHEMBL9963001 | 0.69 | CHRNB2 (0.41) | PTPN11MAPTKDM4EALDH1A1CYP1A2 | |
| SCHEMBL21278205 | 0.67 | NPC1 (0.34) | DPP4PTPN11NPC1RAB9AKDM4E | |
| SCHEMBL16619389 | 0.67 | NPC1 (0.34) | DPP4PTPN11NPC1RAB9AKDM4E | |
| SCHEMBL9933447 | 0.67 | CHRNB2 (0.35) | DPP4PTPN11MAPTKDM4EALDH1A1 | |
| SCHEMBL3458276 | 0.67 | PTPN11 (0.51) | PTPN11MAPTRAB9AALDH1A1TSHR | |
| SCHEMBL3008786 | 0.65 | PTPN11 (0.45) | PTPN11MAPTRAB9AKDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ADORA2B 235/4885DPP4 1971/4885TLR7 1624/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.