Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4100480 | 0.84 | CYP2C19 (0.51) | CYP2C19TSHRDRD2DRD4USP2 | |
| SCHEMBL9911466 | 0.82 | RAB9A (0.54) | CYP2C19TSHRDRD2DRD4RAB9A | |
| SCHEMBL18347983 | 0.82 | RAB9A (0.50) | CYP2C19TSHRDRD2DRD4RAB9A | |
| SCHEMBL3594497 | 0.81 | CA12 (0.54) | CYP2C19RAB9ASMN1; SMN2PKMALDH1A1 | |
| SCHEMBL8136350 | 0.81 | NPSR1 (0.44) | CYP2C19TSHRDRD2DRD4MAPK1 | |
| SCHEMBL23142602 | 0.79 | CA12 (0.41) | RAB9AHDAC2HDAC8HDAC6ALDH1A1 | |
| SCHEMBL15869761 | 0.78 | KMT2A (0.44) | CYP2C19TSHRDRD2TP53SMN1; SMN2 | |
| SCHEMBL13115955 | 0.78 | CYP2C19 (0.45) | CYP2C19TSHRDRD2DRD4USP2 | |
| SCHEMBL8404640 | 0.78 | MEN1 (0.55) | CYP2C19TSHRDRD2DRD4RAB9A | |
| SCHEMBL739486 | 0.78 | TSHR (0.66) | TSHRALDH1A1MEN1KMT2ACA12 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024100139-A1 | USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT | MERCK PATENT GMBH (DE) | 2024-05-16 | — | — | WO | disclosed |
| US-20220119419-A1 | BYCYCLIC JAK INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (HK) | 2022-04-21 | — | — | US | disclosed |
| US-20210300940-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-09-30 | — | — | US | disclosed |
| US-20200316051-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2020-10-08 | — | — | US | disclosed |
| EP-2809652-B1 | ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-05-15 | — | — | EP | disclosed |
| US-9586956-B2 | Isoquinoline and naphthyridine derivatives | GENENTECH, INC. (US) | 2017-03-07 | — | — | US | disclosed |
| US-9586956-B2 | Isoquinoline and naphthyridine derivatives | GENENTECH, INC. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20140343036-A1 | ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES | GENENTECH, INC. (US) | 2014-11-20 | — | — | 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 (4 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-20200316051-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | TLR7, TLR8, TLR9 | CYP2C19 3103/4885TSHR 344/4885DRD2 2101/4885 |
| US-20140343036-A1 | ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES | NQO1, NDUFC2, NDUFV2 | CYP2C19 255/4885TSHR 2798/4885DRD2 277/4885 |
| US-20220119419-A1 | BYCYCLIC JAK INHIBITORS AND USES THEREOF | JAK1, JAK2, JAK3 | CYP2C19 405/4885TSHR 3851/4885DRD2 4265/4885 |
| US-20210300940-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | TLR7, TLR8, TLR9 | CYP2C19 2784/4885TSHR 705/4885DRD2 4126/4885 |
“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.