Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11737866 | 0.98 | CYP2A6 (0.48) | CYP2A6IMPDH2CLK1DYRK1ATNF | |
| Iodomethane SCHEMBL11741710 | 0.94 | CYP2A6 (0.45) | CYP2A6IMPDH2CLK1DYRK1ATNF | |
| SCHEMBL6804952 | 0.83 | IMPDH2 (0.66) | CYP2A6IMPDH2DYRK1AGAACYP3A4 | |
| SCHEMBL11736164 | 0.79 | CLK1 (0.49) | IMPDH2CLK1DYRK1ATNFGAA | |
| SCHEMBL11179959 | 0.79 | IMPDH2 (0.43) | IMPDH2CLK1DYRK1ATNFGAA | |
| SCHEMBL11478088 | 0.79 | EP300 (0.44) | IMPDH2CLK1DYRK1ATNFMAPK10 | |
| SCHEMBL30210705 | 0.79 | CLK1 (0.49) | IMPDH2CLK1DYRK1ATNFGAA | |
| SCHEMBL11743241 | 0.79 | CLK1 (0.41) | CYP2A6IMPDH2CLK1DYRK1ATNF | |
| SCHEMBL11744857 | 0.79 | IMPDH2 (0.43) | CYP2A6IMPDH2CLK1DYRK1ATNF | |
| SCHEMBL27040501 | 0.79 | IMPDH2 (0.43) | CYP2A6IMPDH2CLK1DYRK1ATNF |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023044171-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-03-23 | — | — | WO | disclosed |
| US-20040122223-A1 | Non-natural nucleotides and dinucleotides | CELLTECH R & D LIMITED (GB) | 2004-06-24 | — | — | US | disclosed |
| EP-1368366-A1 | NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES | Celltech R & D Limited (GB) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002062816-A1 | NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES | CELLTECH R & D LIMITED (GB) | 2002-08-15 | — | — | WO | disclosed |
| US-4228170-A | INHIBITOR OF PHENYLETHANOLAMINE N-METHYLTRANSFERASE | SMITHKLINE CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |
| US-4200754-A | Method for preparing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline | SMITHKLINE CORPORATION (US) | 1980-04-29 | — | — | US | disclosed |
| US-4062961-A | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES | SMITHKLINE CORPORATION (US) | 1977-12-13 | — | — | US | disclosed |
| US-3988339-A | 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE | SMITHKLINE CORPORATION (US) | 1976-10-26 | — | — | US | disclosed |
| US-3939164-A | PHENYLETHANOLAMINE N-METHYL TRANSFERASE INHIBITORS | SMITHKLINE CORPORATION (US) | 1976-02-17 | — | — | 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 (1 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-20040122223-A1 | Non-natural nucleotides and dinucleotides | P2RY1, P2RY11, P2RY13 | CYP2A6 2553/4885IMPDH2 982/4885CLK1 3706/4885 |
“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.