Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24204840 | 0.82 | NPC1 (0.42) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL30389900 | 0.82 | NPC1 (0.42) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL31010861 | 0.82 | NPC1 (0.49) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL30365932 | 0.78 | NPC1 (0.50) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL24204595 | 0.78 | NPC1 (0.50) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL31010848 | 0.73 | NPC1 (0.46) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL27253275 | 0.73 | NPC1 (0.46) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL13818451 | 0.73 | NPC1 (0.62) | NPC1RAB9ACYP1A2CYP2A6MIF | |
| SCHEMBL31010855 | 0.72 | NPC1 (0.47) | NPC1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL25522191 | 0.72 | NPC1 (0.50) | NPC1RAB9ACYP1A2CYP2A6MIF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827605-B2 | Isoquinoline compounds and their use in treating AhR imbalance | Dermavant Sciences GmbH (CH) | 2023-11-28 | — | — | US | disclosed |
| US-20230124135-A1 | ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE | Dermavant Sciences GmbH (CH) | 2023-04-20 | — | — | 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-20230124135-A1 | ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE | AHR, ARNT, HRH1 | NPC1 767/4885CDK1 3902/4885CDK4 3857/4885 |
| US-11827605-B2 | Isoquinoline compounds and their use in treating AhR imbalance | AHR, ARNT, HRH1 | NPC1 767/4885CDK1 3902/4885CDK4 3857/4885 |
“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.