Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.53 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL803259 | 1.00 | PDCD1 (0.53) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL9499271 | 0.96 | NPSR1 (0.53) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL21396286 | 0.93 | PDCD1 (0.61) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL18464124 | 0.93 | PDCD1 (0.61) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL17231351 | 0.92 | NPSR1 (0.50) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL6667515 | 0.89 | ESR1 (0.53) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL9498981 | 0.89 | PDCD1 (0.53) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL21396365 | 0.89 | ESR1 (0.63) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL12437080 | 0.89 | ESR1 (0.63) | PDCD1CD274UTS2RNPSR1ESR1 | |
| SCHEMBL26393228 | 0.87 | PDCD1 (0.51) | PDCD1CD274UTS2RNPSR1ESR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240072425-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | US | disclosed |
| US-11834599-B2 | Aromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2023-12-05 | — | — | US | disclosed |
| US-11739265-B2 | Aromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2023-08-29 | — | — | US | disclosed |
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022106387-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022008474-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2021116080-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | WO | disclosed |
| WO-2021069535-A1 | FLUORINATED AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-04-15 | — | — | WO | disclosed |
| WO-2021037962-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2021-03-04 | — | — | WO | disclosed |
| EP-3543314-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-09-09 | — | — | EP | 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-20240072425-A1 | AROMATIC ISOTHIOCYANATES | TRPA1, TRPC1, CRY1 | PDCD1 3128/4885CD274 1642/4885UTS2R 3955/4885 |
| US-11739265-B2 | Aromatic isothiocyanates | TRPA1, CRY1, FOXM1 | PDCD1 3549/4885CD274 2523/4885UTS2R 3045/4885 |
“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.