Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24775484 | 1.00 | ALDH1A1 (0.43) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL22005069 | 0.90 | MAOB (0.41) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL9965914 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL27962869 | 0.84 | SCN3A (0.48) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL19421443 | 0.82 | HSP90AA1 (0.44) | ALDH1A1MAOBMAOAKDM4ECHRNA7 | |
| SCHEMBL19423511 | 0.81 | GAA (0.47) | GAA | |
| SCHEMBL23948269 | 0.81 | NTRK1 (0.42) | — | |
| SCHEMBL4100964 | 0.81 | NTRK1 (0.42) | — | |
| SCHEMBL23032153 | 0.81 | NTRK1 (0.42) | — | |
| SCHEMBL636743 | 0.81 | MAOB (0.41) | ALDH1A1GAASMN1; SMN2MAOBMAOA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230033360-A1 | COMPOUNDS AS CD73 INHIBITORS | BIOARDIS LLC | 2023-02-02 | — | — | US | disclosed |
| US-20220204539-A1 | CD73 INHIBITORS | BIOARDIS LLC | 2022-06-30 | — | — | US | disclosed |
| 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 |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | 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 (3 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-20230033360-A1 | COMPOUNDS AS CD73 INHIBITORS | ENTPD5, ENTPD1, NT5E | ALDH1A1 387/4885GAA 195/4885SMN1; SMN2 2352/4885 |
| US-20220204539-A1 | CD73 INHIBITORS | ENTPD5, ENTPD1, ENTPD2 | ALDH1A1 728/4885GAA 131/4885SMN1; SMN2 1550/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ALDH1A1 534/4885GAA 2706/4885SMN1; SMN2 3655/4885 |
“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.