Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CHI3L1 | P36222 | 1/20 | 0.38 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.38 |
| ▸ | CHI3L2 | Q15782 | 1/20 | 0.38 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20008997 | 0.75 | HRH3 (0.43) | HRH3CHI3L1CHIT1CHI3L2CHIA | |
| SCHEMBL12878768 | 0.73 | HRH3 (0.60) | HRH3NPC1RAB9AHPGDHTT | |
| SCHEMBL12988231 | 0.72 | HRH3 (0.46) | HRH3CHI3L1CHIT1CHI3L2CHIA | |
| SCHEMBL19080603 | 0.71 | HPGD (0.44) | HRH3NPC1RAB9AHPGDTDP1 | |
| SCHEMBL12988889 | 0.71 | HRH3 (0.51) | HRH3CHI3L1CHIT1CHI3L2CHIA | |
| SCHEMBL2857147 | 0.71 | NPC1 (0.41) | HRH3NPC1RAB9AHPGDTDP1 | |
| SCHEMBL2640732 | 0.71 | KDM4C (0.44) | HRH3NPC1RAB9AHPGDTDP1 | |
| SCHEMBL30461783 | 0.71 | DPP4 (0.43) | NPC1RAB9AHPGDTDP1HTT | |
| SCHEMBL3160083 | 0.70 | NPC1 (0.42) | HRH3CHI3L1CHIT1CHI3L2CHIA | |
| SCHEMBL3570802 | 0.70 | NPC1 (0.49) | HRH3CHI3L1NPC1RAB9AHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | 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-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | HRH3 250/4885CHI3L1 2349/4885CHIT1 2638/4885 |
“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.