Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 4/20 | 0.37 |
| ▸ | CES1 | P23141 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7030979 | 0.88 | ALDH1A1 (0.40) | ALDH1A1FFAR3TDP1SOAT1CES2 | |
| SCHEMBL7530726 | 0.86 | CES2 (0.55) | ALDH1A1FFAR3CES2CES1HDAC3 | |
| SCHEMBL351193 | 0.84 | ALDH1A1 (0.50) | ALDH1A1FFAR3TDP1SOAT1CES2 | |
| SCHEMBL120572 | 0.80 | — | — | |
| SCHEMBL7146267 | 0.80 | — | — | |
| SCHEMBL28838211 | 0.80 | — | — | |
| SCHEMBL468417 | 0.78 | — | — | |
| SCHEMBL5026226 | 0.78 | — | — | |
| SCHEMBL7068975 | 0.78 | — | — | |
| SCHEMBL6027567 | 0.78 | — | — |
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-5354871-A | Pyrroline N-oxide derivatives | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1994-10-11 | — | — | US | claimed |
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |
| US-7326797-B2 | Manufacture of isoflavones | DSM IP ASSETS B.V. (NL) | 2008-02-05 | — | — | US | disclosed |
| EP-1523478-B1 | MANUFACTURE OF ISOFLAVONES | DSM IP ASSETS BV (NL) | 2007-12-12 | — | — | EP | disclosed |
| US-20050256321-A1 | Manufacture of isoflavones | DSM IP ASSETS B.V. (NL) | 2005-11-17 | — | — | US | disclosed |
| EP-1523478-A2 | MANUFACTURE OF ISOFLAVONES | DSM IP Assets B.V. (NL) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004009576-A2 | MANUFACTURE OF ISOFLAVONES | DSM IP ASSETS B.V. (NL) | 2004-01-29 | — | — | WO | disclosed |
| EP-0972776-B1 | A phosphine sulfide, a manufacturing process therefor and a use thereof | MITSUI CHEMICALS INC (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-6153794-A | Phosphine sulfide, a manufacturing process therefor and use thereof | MITSUI CHEMICALS, INC. (JP) | 2000-11-28 | — | — | US | disclosed |
| CN-1262276-A | Phosphine sulfide preparing process and use thereof | MITSUI CHEMICALS INC (JP) | 2000-08-09 | — | — | CN | disclosed |
| EP-0972776-A1 | A phosphine sulfide, a manufacturing process therefor and a use thereof | Mitsui Chemicals, Inc. (JP) | 2000-01-19 | — | — | 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 (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-20050256321-A1 | Manufacture of isoflavones | HAAO, HAO2, CYP2F1 | ALDH1A1 1856/4885FFAR3 232/4885TDP1 4589/4885 |
“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.