Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | FPR3 | P25089 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL855931 | 0.80 | SLC6A3 (0.41) | SLC6A3NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL2177924 | 0.78 | HTT (0.41) | SLC6A3NPC1RAB9AGAAADRB3 | |
| SCHEMBL13799644 | 0.78 | SMN1; SMN2 (0.44) | NPC1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL13851715 | 0.76 | SLC6A3 (0.39) | SLC6A3NPC1RAB9AGAAADRB3 | |
| SCHEMBL11985523 | 0.76 | GAA (0.36) | SLC6A3NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL2827987 | 0.76 | GAA (0.56) | SLC6A3NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL2827059 | 0.74 | KDM4E (0.43) | SLC6A3NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL12892163 | 0.73 | GAA (0.41) | SLC6A3NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL6760698 | 0.72 | — | — | |
| SCHEMBL5543974 | 0.70 | — | — |
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-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2012-10-11 | — | — | US | disclosed |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2009-10-08 | — | — | 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 (2 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-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | SLC6A3 481/4885NPC1 2654/4885RAB9A 1850/4885 |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | SLC6A3 481/4885NPC1 2654/4885RAB9A 1850/4885 |
“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.