Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL10758911 | 0.82 | ALDH1A1 (0.40) | ALDH1A1HCAR2SMN1; SMN2LMNACYP2C19 | |
| SCHEMBL30606633 | 0.81 | ATM (0.41) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL28125009 | 0.80 | TSHR (0.41) | ALDH1A1TSHRHCAR2EPHX1MEN1 | |
| SCHEMBL28125040 | 0.80 | TSHR (0.41) | ALDH1A1TSHRHCAR2EPHX1MEN1 | |
| SCHEMBL28124588 | 0.80 | TSHR (0.41) | ALDH1A1TSHRHCAR2EPHX1MEN1 | |
| SCHEMBL25594777 | 0.76 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL28102923 | 0.75 | TSHR (0.38) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL29403915 | 0.75 | ALDH1A1 (0.45) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL14570068 | 0.75 | ALDH1A1 (0.45) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL446065 | 0.75 | ALDH1A1 (0.45) | ATMALDH1A1TSHRHPGDHCAR2 |
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-6962919-B2 | Nitrogen-containing heterocyclic compounds, their production and use | TAKEDA PHARMACEUTICAL CO., LTD. (JP) | 2005-11-08 | — | — | US | disclosed |
| EP-1042325-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA PHARMACEUTICAL (JP) | 2005-09-21 | — | — | EP | disclosed |
| US-20020103210-A1 | Nitrogen-containing heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. | 2002-08-01 | — | — | US | disclosed |
| US-6413972-B1 | 5,8-DIHYDRO-3-METHYL-5-OXO-8-(1-OXO-1-PHENYL-2-PROPYL)-2 -PHENYLIMIDAZO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER; GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; LOW TOXICITY; ANTICARCINOGENIC AGENT; CONTRACEPTIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |
| US-6194419-B1 | THERAPY FOR SEXUAL DISORDERS; A 5-OXOIMIDAZOLO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ESTER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-1042325-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033831-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-08 | — | — | 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 (1 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-20020103210-A1 | Nitrogen-containing heterocyclic compounds, their production and use | GNRHR, NR5A1, SHBG | ATM 4595/4885ALDH1A1 3645/4885TSHR 350/4885 |
“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.