Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19553775 | 0.80 | POLB (0.43) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL29686444 | 0.78 | LMNA (0.44) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL26100314 | 0.78 | LMNA (0.44) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL18341471 | 0.77 | IRAK4 (0.43) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL31171319 | 0.76 | POLB (0.42) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL22367376 | 0.76 | SIGMAR1 (0.45) | SIGMAR1TMEM97CYP1A2POLBTHRB | |
| SCHEMBL18341489 | 0.76 | IRAK4 (0.46) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL25375490 | 0.75 | HPGD (0.43) | CYP1A2POLBTHRBRECQLTDP1 | |
| SCHEMBL30570461 | 0.75 | HPGD (0.43) | CYP1A2POLBTHRBRECQLTDP1 | |
| SCHEMBL19553354 | 0.75 | CA1 (0.41) | CYP1A2POLBTHRBRECQLTDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10590140-B2 | Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-03-17 | — | — | US | disclosed |
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| US-20190144455-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-05-16 | — | — | US | disclosed |
| EP-3452475-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-03-13 | — | — | EP | disclosed |
| WO-2017191304-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-09 | — | — | 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 (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-20190144455-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND DIHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | CACNA1G, CACNA1B, CACNA1D | SIGMAR1 284/4885TMEM97 308/4885CYP1A2 607/4885 |
| US-10590140-B2 | Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions | CACNA1G, CACNA1B, CACNA1D | SIGMAR1 284/4885TMEM97 308/4885CYP1A2 607/4885 |
“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.