Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.52 |
| ▸ | CES2 | O00748 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | IAPP | P10997 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARD | Q03181 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2529838 | 0.92 | KMT2A (0.56) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL2533966 | 0.92 | KMT2A (0.62) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL2531636 | 0.90 | KMT2A (0.67) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL2528728 | 0.90 | KMT2A (0.60) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL95899 | 0.90 | KMT2A (0.60) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL94903 | 0.89 | — | — | |
| SCHEMBL2529583 | 0.89 | — | — | |
| SCHEMBL106334 | 0.88 | CES1 (0.65) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL27757367 | 0.88 | CES1 (0.65) | CES1CES2KMT2AMAPTALDH1A1 | |
| SCHEMBL2530667 | 0.86 | KMT2A (0.62) | CES1CES2KMT2AMAPTALDH1A1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |
| EP-1315733-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-04 | — | — | EP | disclosed |
| EP-1187820-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| EP-1187819-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2002020531-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| WO-2001000600-A1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2001000602-A1 | SUBSTITUTED UREAS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |
| EP-0835248-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-15 | — | — | EP | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | 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-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | CBR1, CBR3, QSOX1 | CES1 434/4885CES2 669/4885KMT2A 1521/4885 |
“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.