Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL444915 | 0.78 | MME (0.41) | SMN1; SMN2KDM4EALDH1A1MEN1TSHR | |
| SCHEMBL194101 | 0.78 | MME (0.41) | SMN1; SMN2KDM4EALDH1A1MEN1TSHR | |
| SCHEMBL194100 | 0.78 | MME (0.41) | SMN1; SMN2KDM4EALDH1A1MEN1TSHR | |
| SCHEMBL10578705 | 0.77 | PTGS2 (0.39) | HSD17B10SMN1; SMN2KDM4EALDH1A1MEN1 | |
| Alanine SCHEMBL2176579 | 0.71 | MME (0.36) | SMN1; SMN2KDM4EALDH1A1TSHRTYR | |
| SCHEMBL7324309 | 0.71 | MME (0.44) | SMN1; SMN2LMNATYRLTA4HMME | |
| SCHEMBL7324302 | 0.71 | MME (0.44) | SMN1; SMN2LMNATYRLTA4HMME | |
| SCHEMBL7033296 | 0.71 | SHMT1 (0.37) | SMN1; SMN2KDM4E | |
| SCHEMBL18794691 | 0.70 | KMT2A (0.45) | SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL10949351 | 0.69 | TSHR (0.48) | KDM4EALDH1A1TSHRKMT2ALMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0975601-B1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | claimed |
| US-20010018538-A1 | New process for a phenylthiobutyl-isoquinoline and intermediates therefor | HILPERT HANS (CH) | 2001-08-30 | — | — | US | claimed |
| US-6239296-B1 | Process for a phenylthiobutyl-isoquinoline and intermediates therefor | HOFFMANN-LA ROCHE INC. | 2001-05-29 | — | — | US | claimed |
| EP-0975601-A1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-02 | — | — | EP | claimed |
| WO-1998045271-A1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | F. HOFFMAN-LA ROCHE AG (CH) | 1998-10-15 | — | — | WO | claimed |
| EP-0975601-B1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | disclosed |
| US-6437134-B2 | SILYLATING THE CORRESPONDING CARBAMATE COMPOUND; ALKYLATION | HOFFMANN-LA ROCHE INC. | 2002-08-20 | — | — | US | disclosed |
| US-20010018538-A1 | New process for a phenylthiobutyl-isoquinoline and intermediates therefor | HILPERT HANS (CH) | 2001-08-30 | — | — | US | disclosed |
| US-6239296-B1 | Process for a phenylthiobutyl-isoquinoline and intermediates therefor | HOFFMANN-LA ROCHE INC. | 2001-05-29 | — | — | US | disclosed |
| US-6130348-A | Process for a phenylthiobutyl-isoquinoline and intermediates therefor | HOFFMANN-LA ROCHE INC. (US) | 2000-10-10 | — | — | US | disclosed |
| EP-0975601-A1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998045271-A1 | PROCESS FOR MAKING A BUTYLTHIO-ISOQUINOLINE AND INTERMEDIATES THEREFOR | F. HOFFMAN-LA ROCHE AG (CH) | 1998-10-15 | — | — | WO | 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-20010018538-A1 | New process for a phenylthiobutyl-isoquinoline and intermediates therefor | WEE1, WEE2, CYP4F11 | HSD17B10 972/4885SMN1; SMN2 4233/4885KDM4E 3526/4885 |
“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.