Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | RXRA | P19793 | 1/20 | 0.55 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320348 | 0.87 | LDHA (0.57) | ALDH1A1SMN1; SMN2NPC1HPGDPOLB | |
| SCHEMBL2391945 | 0.85 | SMPD1 (0.61) | SMPD1HDAC1HDAC8HDAC6RXRA | |
| SCHEMBL7822529 | 0.82 | FFAR4 (0.73) | SMPD1HDAC1HDAC8HDAC6FFAR1 | |
| SCHEMBL10730593 | 0.81 | SMPD1 (0.60) | SMPD1HDAC1HDAC8HDAC6RXRA | |
| SCHEMBL8844454 | 0.80 | SLC6A2 (0.60) | SMPD1HDAC1HDAC8HDAC6RXRA | |
| SCHEMBL31361425 | 0.80 | BCHE (0.60) | SMPD1HDAC1HDAC8HDAC6RXRA | |
| SCHEMBL3239903 | 0.80 | BCHE (0.60) | SMPD1HDAC1HDAC8HDAC6RXRA | |
| SCHEMBL2394315 | 0.80 | SMPD1 (0.59) | SMPD1HDAC1HDAC8HDAC6RXRA | |
| SCHEMBL1114985 | 0.79 | NPC1 (0.63) | RXRAATMALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL31011346 | 0.79 | NPC1 (0.63) | RXRAATMALDH1A1SMN1; SMN2NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567498-B1 | MANDELIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-7129238-B2 | Mandelic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-31 | — | — | US | disclosed |
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| US-20040122057-A1 | Novel mandelic acid derivatives | HOFFMANN-LA ROCHE INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | 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-20040122057-A1 | Novel mandelic acid derivatives | F7, F11, F9 | SMPD1 369/4885HDAC1 3142/4885HDAC8 2454/4885 |
“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.