Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 2/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.40 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.40 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3154962 | 0.89 | MAPT (0.40) | MAPTALDH1A1CES2TACR1CYP2D6 | |
| SCHEMBL1432906 | 0.89 | MAPT (0.40) | MAPTALDH1A1CES2TACR1CYP2D6 | |
| SCHEMBL2365906 | 0.89 | MAPT (0.40) | MAPTALDH1A1CES2TACR1CYP2D6 | |
| Hydrochloric Acid SCHEMBL2487638 | 0.87 | IDO1 (0.40) | MAPTALDH1A1CES2TACR1GPBAR1 | |
| Hydrochloric Acid SCHEMBL3138452 | 0.87 | IDO1 (0.40) | MAPTALDH1A1CES2TACR1GPBAR1 | |
| Hydrochloric Acid SCHEMBL2512455 | 0.87 | IDO1 (0.40) | MAPTALDH1A1CES2TACR1GPBAR1 | |
| Maleic Acid SCHEMBL21143560 | 0.82 | MAPT (0.41) | MAPTALDH1A1CES2TACR1 | |
| SCHEMBL28230551 | 0.82 | ACP1 (0.41) | MAPTACP1PTPN7PTPN12PTPN13 | |
| SCHEMBL28230552 | 0.82 | ACP1 (0.41) | MAPTACP1PTPN7PTPN12PTPN13 | |
| SCHEMBL15215514 | 0.80 | RAPGEF4 (0.41) | MAPTTACR1GPBAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3388423-B1 | NK1 RECEPTOR ANTAGONIST | KISSEI PHARMACEUTICAL (JP) | 2020-05-27 | — | — | EP | disclosed |
| US-10399949-B2 | NK1 receptor antagonist | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2019-09-03 | — | — | US | disclosed |
| US-20190002414-A1 | NK1 RECEPTOR ANTAGONIST | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2019-01-03 | — | — | US | disclosed |
| EP-3388423-A1 | NK1 RECEPTOR ANTAGONIST | Kissei Pharmaceutical Co., Ltd. (JP) | 2018-10-17 | — | — | EP | 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-20190002414-A1 | NK1 RECEPTOR ANTAGONIST | TACR1, TACR2, GRPR | TACR1 1/4885MAPT 4848/4885ACP1 3879/4885 |
| US-10399949-B2 | NK1 receptor antagonist | TACR1, TACR2, GRPR | TACR1 1/4885MAPT 4848/4885ACP1 3879/4885 |
“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.