Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 5/20 | 0.57 |
| ▸ | CNR2 | P34972 | 11/20 | 0.46 |
| ▸ | CNR1 | P21554 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17170578 | 0.86 | HTR3A (0.55) | HTR3ACNR2CNR1CYP1A2HPGD | |
| SCHEMBL17176479 | 0.86 | HTR3A (0.59) | HTR3ACNR2CNR1CYP1A2HPGD | |
| SCHEMBL17170620 | 0.85 | HTR3A (0.57) | HTR3ACNR2CNR1CYP1A2HPGD | |
| SCHEMBL17885843 | 0.84 | ALDH1A1 (0.51) | CNR2CNR1CYP1A2HPGDTSHR | |
| SCHEMBL12194236 | 0.82 | ALDH1A1 (0.58) | CNR2MAPK1ALDH1A1 | |
| SCHEMBL17170602 | 0.73 | HTR3A (0.56) | HTR3ACNR2CNR1HPGDALDH1A1 | |
| SCHEMBL17176494 | 0.73 | HTR3A (0.60) | HTR3ACNR2CNR1HPGDMEN1 | |
| SCHEMBL17163374 | 0.73 | HTR3A (1.00) | HTR3A | |
| SCHEMBL17163378 | 0.73 | HTR3A (1.00) | HTR3A | |
| SCHEMBL17163375 | 0.73 | HTR3A (1.00) | HTR3A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180072758-A1 | 5HT3 RECEPTOR ANTAGONISTS | TAKEDA CALIFORNIA, INC. | 2018-03-15 | — | — | US | disclosed |
| US-20180072758-A1 | 5HT3 RECEPTOR ANTAGONISTS | TAKEDA CALIFORNIA, INC. | 2018-03-15 | — | — | US | disclosed |
| US-9695195-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-07-04 | — | — | US | disclosed |
| US-9695195-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-07-04 | — | — | US | disclosed |
| US-20160185801-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL (JP) | 2016-06-30 | — | — | US | disclosed |
| US-9303045-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-04-05 | — | — | US | disclosed |
| US-20150291624-A1 | 5-HT3 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-15 | — | — | US | disclosed |
| US-20150087044-A1 | POLYHEDRAL CAGE-CONTAINING MESOPOROUS METAL-ORGANIC FRAMEWORKS AS PLATFORM FOR BIOCATALYSIS, METHODS OF MAKING THESE FRAMEWORKS, AND METHODS OF USING THESE FRAMEWORKS | UNIVERSITY OF SOUTH FLORIDA | 2015-03-26 | — | — | 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 (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-20160185801-A1 | 5-HT3 RECEPTOR ANTAGONISTS | HTR3A, HTR5A, HTR3B | HTR3A 1/4885CNR2 47/4885CNR1 37/4885 |
| US-20150291624-A1 | 5-HT3 RECEPTOR ANTAGONISTS | HTR3A, HTR5A, HTR3B | HTR3A 1/4885CNR2 47/4885CNR1 37/4885 |
| US-20180072758-A1 | 5HT3 RECEPTOR ANTAGONISTS | HTR3A, HTR3B, HTR5A | HTR3A 1/4885CNR2 46/4885CNR1 37/4885 |
“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.