Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.50 |
| ▸ | NR1D1 | P20393 | 4/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SCN1A | P35498 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL7562431 | 0.98 | AKT1 (0.49) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL23130693 | 0.97 | AKT1 (0.50) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL8018235 | 0.97 | AKT1 (0.50) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL30915258 | 0.97 | AKT1 (0.50) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL25539127 | 0.94 | AKT1 (0.48) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL782348 | 0.94 | AKT1 (0.55) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL19079041 | 0.93 | AKT1 (0.47) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL3844227 | 0.91 | MEN1 (0.52) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL3775112 | 0.91 | AKT1 (0.51) | AKT1NR1D1CTSLCTSBCTSS | |
| SCHEMBL782349 | 0.89 | AKT1 (0.51) | AKT1NR1D1CTSLCTSBCTSS |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3239142-B1 | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-07-03 | — | — | EP | disclosed |
| US-9975903-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-22 | — | — | US | disclosed |
| US-20170349605-A1 | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-07 | — | — | US | disclosed |
| EP-3239142-A1 | CONDENSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-11-01 | — | — | EP | disclosed |
| WO-2001052898-A9 | METHODS FOR INCORPORATING METAL CHELATORS AT CARBOXYL-TERMINAL SITE OF PEPTIDES | MALLINCKRODT INC (US) | 2002-10-31 | — | — | WO | disclosed |
| US-20020049190-A1 | Pharmaceutical compositions comprising metal complexes | ANORMED INC. (CA) | 2002-04-25 | — | — | US | disclosed |
| EP-1163247-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES | ANORMED INC. (CA) | 2001-12-19 | — | — | EP | disclosed |
| WO-2001052898-A1 | METHODS FOR INCORPORATING METAL CHELATORS AT CARBOXYL-TERMINAL SITE OF PEPTIDES | MALLINCKRODT INC. (US) | 2001-07-26 | — | — | WO | disclosed |
| WO-2000058266-A1 | DIVERGENT METHOD FOR THE SYNTHESIS OF DIETHYLENE TRIAMINEPENTA ACETICACID ESTERS | MALLINCKRODT INC. (US) | 2000-10-05 | — | — | WO | disclosed |
| WO-2000058264-A1 | METHOD FOR THE SYNTHESIS OF NON-SYMMETRICAL DTPA COMPOUNDS | MALLINCKRODT INC. (US) | 2000-10-05 | — | — | WO | disclosed |
| WO-2000056743-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES | ANORMED INC. (CA) | 2000-09-28 | — | — | 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-20020049190-A1 | Pharmaceutical compositions comprising metal complexes | CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 | AKT1 4770/4885NR1D1 307/4885CTSL 329/4885 |
| US-20170349605-A1 | CONDENSED HETEROCYCLIC COMPOUND | VIP, TMPRSS15, MMP2 | AKT1 2942/4885NR1D1 1767/4885CTSL 236/4885 |
“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.