Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21024918 | 0.90 | ESR1 (0.44) | ESR1ESR2CACNA1IFFAR1CYP17A1 | |
| SCHEMBL27344758 | 0.82 | DHFR (0.35) | CACNA1IDHFRGRIN1GRIN2B | |
| SCHEMBL20372909 | 0.81 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL21479416 | 0.81 | CASP3 (0.40) | CACNA1IMMP1MMP13CASP3SENP8 | |
| SCHEMBL21503707 | 0.81 | CASP3 (0.40) | CACNA1IMMP1MMP13CASP3SENP8 | |
| SCHEMBL21755121 | 0.80 | CASP3 (0.40) | CACNA1IMMP1MMP13CASP3SENP8 | |
| SCHEMBL19464658 | 0.77 | CACNA1I (0.43) | ESR1ESR2CACNA1IAPLNRALDH1A1 | |
| SCHEMBL19003481 | 0.77 | ESR1 (0.42) | ESR1ESR2ALDH1A1KDM4ERAB9A | |
| SCHEMBL22215350 | 0.76 | ESR1 (0.41) | ESR1ESR2ALDH1A1KDM4ENPC1 | |
| SCHEMBL18948514 | 0.76 | ESR1 (0.41) | ESR1ESR2APLNRALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11345676-B2 | Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds | PHARMAKEA, INC. (US) | 2022-05-31 | — | — | US | disclosed |
| US-10640510-B2 | Metabotrophic glutamate receptor 5 modulators and methods use thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2020-05-05 | — | — | US | disclosed |
| US-20200048218-A1 | APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS | PHARMAKEA, INC. | 2020-02-13 | — | — | US | disclosed |
| US-10398706-B2 | Heteroaryldiazepine derivatives as RSV inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2019-09-03 | — | — | US | disclosed |
| US-20190135815-A1 | METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF | SUNOVION PHARMACEUTICALS INC (US) | 2019-05-09 | — | — | US | disclosed |
| US-20180193352-A1 | HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS | ENANTA PHARMACEUTICALS, INC. | 2018-07-12 | — | — | US | disclosed |
| US-9957281-B2 | Benzodiazepine derivatives as RSV inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2018-05-01 | — | — | 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 (6 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-10398706-B2 | Heteroaryldiazepine derivatives as RSV inhibitors | CYP3A5, CYP3A43, CYP3A4 | ESR1 2173/4885ESR2 2156/4885CACNA1I 674/4885 |
| US-20200048218-A1 | APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS | BAX, BAD, BCL2 | ESR1 2487/4885ESR2 1476/4885CACNA1I 4527/4885 |
| US-20190135815-A1 | METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF | GRM5, GRIK5, GRM2 | ESR1 1411/4885ESR2 632/4885CACNA1I 578/4885 |
| US-10640510-B2 | Metabotrophic glutamate receptor 5 modulators and methods use thereof | GRM5, GRIK5, GRM2 | ESR1 1411/4885ESR2 632/4885CACNA1I 578/4885 |
| US-11345676-B2 | Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds | BAX, BAD, BCL2 | ESR1 2487/4885ESR2 1476/4885CACNA1I 4527/4885 |
| US-20180193352-A1 | HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS | CYP3A5, CYP3A43, CYP3A4 | ESR1 2173/4885ESR2 2156/4885CACNA1I 674/4885 |
“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.