Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA6 | P23280 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL22491481 | 0.87 | CRBN (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29734435 | 0.87 | CRBN (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22491534 | 0.81 | DRD2 (0.39) | PDE3BPDE3AHTT | |
| SCHEMBL17543332 | 0.77 | PKM (0.39) | PKMNR3C1PGRSLC6A4KCNH2 | |
| SCHEMBL8920608 | 0.77 | CA12 (0.47) | CA12CA1CA2CA4CA6 | |
| Veratric Acid SCHEMBL11038730 | 0.76 | CA12 (0.72) | CA12CA1CA2CA4CA6 | |
| SCHEMBL22491371 | 0.73 | NR3C1 (0.44) | NR3C1PGRSLC6A4KCNH2PDE3B | |
| SCHEMBL9836107 | 0.72 | CYP1A2 (0.45) | PTGS2CNR2KMT2ATUBB4ATUBB | |
| SCHEMBL22491512 | 0.72 | CRBN (0.43) | HTTTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL22491528 | 0.71 | CRBN (0.49) | CA12CA1CA2CA7CA9 |
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-11420961-B2 | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 2022-08-23 | — | — | US | disclosed |
| EP-3717477-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-07-20 | — | — | EP | disclosed |
| US-20200392125-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2020-12-17 | — | — | US | disclosed |
| EP-3717477-A1 | NEW HETEROCYCLIC COMPOUNDS | H. Hoffnabb-La Roche Ag (CH) | 2020-10-07 | — | — | EP | disclosed |
| CN-111386269-A | Novel heterocyclic compound | 豪夫迈·罗氏有限公司 | 2020-07-07 | — | — | CN | 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-11420961-B2 | Heterocyclic compounds | LPXN, MLX, CCNY | CA12 2688/4885CA1 2472/4885CA2 3752/4885 |
| US-20200392125-A1 | HETEROCYCLIC COMPOUNDS | LPXN, MLX, CCNY | CA12 2688/4885CA1 2472/4885CA2 3752/4885 |
“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.