Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | HRH1 | P35367 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | MC3R | P41968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20327882 | 1.00 | KDM4E (0.37) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL18714321 | 1.00 | KDM4E (0.37) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL29738290 | 0.80 | — | — | |
| SCHEMBL681871 | 0.80 | — | — | |
| SCHEMBL23169638 | 0.79 | CYP2D6 (0.34) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL13629973 | 0.79 | CYP2D6 (0.34) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL5960485 | 0.77 | KDM4E (0.35) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL13093998 | 0.77 | KDM4E (0.35) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL10103672 | 0.77 | KDM4E (0.35) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL28235833 | 0.77 | ALDH1A1 (0.35) | KDM4EALDH1A1SMN1; SMN2HSP90AA1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10336754-B2 | Pyrimidinones as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-07-02 | — | — | US | disclosed |
| US-20180186795-A1 | PYRIMIDINONES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2018-07-05 | — | — | US | disclosed |
| US-9775829-B2 | Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto | ARENA PHARMACEUTICALS, INC. (US) | 2017-10-03 | — | — | US | disclosed |
| US-8501786-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-08-06 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-09-06 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 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 (5 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-20180186795-A1 | PYRIMIDINONES AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F2 | KDM4E 762/4885ALDH1A1 2800/4885SMN1; SMN2 3315/4885 |
| US-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | KDM4E 3804/4885ALDH1A1 534/4885SMN1; SMN2 3655/4885 |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | KDM4E 1825/4885ALDH1A1 352/4885SMN1; SMN2 3396/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | KDM4E 3804/4885ALDH1A1 534/4885SMN1; SMN2 3655/4885 |
| US-10336754-B2 | Pyrimidinones as factor XIa inhibitors | TFPI, TFPI2, F2 | KDM4E 762/4885ALDH1A1 2800/4885SMN1; SMN2 3315/4885 |
“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.