Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | EIF4EBP1 | Q13541 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | BCL6 | P41182 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11983579 | 0.77 | NPC1 (0.59) | NPC1RAB9AADORA2BPDE4APDE4B | |
| SCHEMBL21842098 | 0.76 | EIF4EBP1 (0.40) | NPC1RAB9AADORA2BPDE4APDE4B | |
| SCHEMBL25098011 | 0.76 | ADORA2A (0.43) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11960231 | 0.73 | SMN1; SMN2 (0.69) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL22831128 | 0.71 | USP7 (0.44) | — | |
| SCHEMBL11985536 | 0.71 | RAB9A (0.56) | NPC1RAB9APOLBSMN1; SMN2KDM4E | |
| SCHEMBL11983358 | 0.70 | TRPA1 (0.58) | NPC1RAB9APOLBSMN1; SMN2KDM4E | |
| SCHEMBL11531219 | 0.69 | ADORA2B (0.78) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10696123 | 0.69 | PDE4A (0.76) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28528951 | 0.69 | HDAC6 (0.44) | NPC1RAB9AADORA2BSMN1; SMN2KDM4E |
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-8399480-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399480-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | 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-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | NPC1 2654/4885RAB9A 1850/4885ADORA2B 165/4885 |
“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.