Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8853666 | 0.98 | CES2 (0.48) | CES2CES1TSHRLMNAALOX12 | |
| Heptane SCHEMBL2077664 | 0.98 | CES2 (0.52) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL1487693 | 0.96 | CES2 (0.47) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL1201404 | 0.95 | CES2 (0.50) | CES2CES1TSHRLMNAALOX12 | |
| Hexanoate SCHEMBL5590406 | 0.90 | AKR1B1 (0.59) | CES2CES1TSHRL3MBTL1MEN1 | |
| 1-Hexanol SCHEMBL28875247 | 0.90 | LMNA (0.48) | CES2CES1TSHRLMNANAAA | |
| Heptane SCHEMBL9819586 | 0.90 | CES2 (0.49) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL8635446 | 0.88 | LMNA (0.58) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL18640410 | 0.88 | TSHR (0.65) | CES2CES1TSHRLMNAALOX12 | |
| Toluene SCHEMBL1549759 | 0.88 | TSHR (0.65) | CES2CES1TSHRLMNAALOX12 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8703936-B2 | Compositions and methods for modification of biomolecules | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-04-22 | — | — | US | disclosed |
| US-20140045207-A1 | COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-02-13 | — | — | US | disclosed |
| US-8519122-B2 | Compositions and methods for modification of biomolecules | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110207147-A1 | Compositions and Methods for Modification of Biomolecules | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-08-25 | — | — | US | disclosed |
| US-20040044085-A1 | PROCESS FOR THE PREPARATION OF XANTHOPHYLL CRYSTALS | KANCOR FLAVOURS & EXTRACTS LTD. (IN) | 2004-03-04 | — | — | US | disclosed |
| US-20030166176-A1 | Taxoid-14-beta-hydroxylases and methods for their use | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION | 2003-09-04 | — | — | US | disclosed |
| US-5276021-A | Anticholesterol or antilipemic agents | E. R. SQUIBB & SONS, INC. (US) | 1994-01-04 | — | — | US | disclosed |
| US-5091378-A | Anticholesterol agents | E. R. SQUIBB & SONS, INC. (US) | 1992-02-25 | — | — | 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-20110207147-A1 | Compositions and Methods for Modification of Biomolecules | PTMS, APEX1, ALG1 | CES2 373/4885CES1 2830/4885TSHR 2900/4885 |
“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.