Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12513675 | 1.00 | CA12 (0.41) | CA12CA7CA14ALDH1A1G6PD | |
| SCHEMBL15803197 | 0.83 | ALDH1A1 (0.54) | CA12CA7CA14ALDH1A1LMNA | |
| SCHEMBL3171363 | 0.83 | ALDH1A1 (0.54) | CA12CA7CA14ALDH1A1LMNA | |
| SCHEMBL15836240 | 0.82 | CA12 (0.58) | CA12CA7CA14ALDH1A1KMT2A | |
| SCHEMBL48337 | 0.82 | — | — | |
| SCHEMBL2688647 | 0.82 | CA12 (0.39) | CA12CA7CA14ALDH1A1LMNA | |
| SCHEMBL8623324 | 0.80 | TP53 (0.53) | CA12CA7CA14ALDH1A1PGR | |
| SCHEMBL8623328 | 0.80 | TP53 (0.53) | CA12CA7CA14ALDH1A1PGR | |
| SCHEMBL12018133 | 0.79 | ATM (0.42) | CA12CA7CA14ALDH1A1LMNA | |
| SCHEMBL12678709 | 0.79 | ATM (0.42) | CA12CA7CA14ALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| US-20080275085-A1 | Piperidine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | US | disclosed |
| US-20080275085-A1 | Piperidine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | 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 (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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | NTSR2, BDKRB1, AVPR1B | CA12 2731/4885CA7 3579/4885CA14 3221/4885 |
| US-20080275085-A1 | Piperidine derivative and use thereof | TACR2, TACR1, PRLHR | CA12 3789/4885CA7 2584/4885CA14 3435/4885 |
“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.