Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 5/20 | 0.32 |
| ▸ | CES1 | P23141 | 5/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5665112 | 0.98 | MAPK1 (0.36) | MAPK1SLC13A3EGLN1OR51E2CES2 | |
| SCHEMBL2068783 | 0.82 | TSHR (0.48) | OR51E2HDAC11TSHRALDH1A1 | |
| Lithium Ion SCHEMBL5665108 | 0.81 | NFKB1 (0.32) | CES2CES1TSHR | |
| SCHEMBL3934006 | 0.79 | TET2 (0.33) | — | |
| SCHEMBL7289146 | 0.77 | ALDH1A1 (0.41) | TSHRALDH1A1 | |
| SCHEMBL1308174 | 0.76 | TSHR (0.61) | TSHRALDH1A1 | |
| SCHEMBL6929072 | 0.76 | ALDH1A1 (0.50) | HDAC11TSHRALDH1A1 | |
| Formic Acid SCHEMBL9657633 | 0.75 | TSHR (0.42) | HDAC11TSHRALDH1A1 | |
| SCHEMBL2171421 | 0.75 | CA1 (0.48) | MAPK1SLC13A3EGLN1OR51E2CES2 | |
| SCHEMBL30834710 | 0.74 | ALDH1A1 (0.54) | OR51E2HDAC11TSHRALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097236-A4 | STEREOSELECTIVE REDUCTIVE AMINATION OF KETONES | BRISTOL MYERS SQUIBB CO (US) | 2006-10-04 | — | — | EP | disclosed |
| US-6486331-B2 | FOR STEREOSELECTIVE ENZYMATIC REDUCTIVE AMINATION FOR CONVERSION OF 5-(1,3-DIOXOLAN-2-YL)-2-OXO-PENTANOIC ACID TO 5-(1,3-DIOXOLAN-2-YL)-2S-AMINO-PENTANOIC ACID IN YEAST CULTURES | BRISTOL-MYERS SQUIBB CO. | 2002-11-26 | — | — | US | disclosed |
| US-6468781-B1 | USING RECOMBINANT METHYLOTROPHIC YEAST HOST CELL CAPABLE OF PRODUCING BOTH PHENYLALANINE DEHYDROGENASE AND FORMATE DEHYDROGENASE | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-22 | — | — | US | disclosed |
| US-20020049342-A1 | Substituted alkylketo compounds and process | HANSON RONALD L (US) | 2002-04-25 | — | — | US | disclosed |
| EP-1097236-A1 | STEREOSELECTIVE REDUCTIVE AMINATION OF KETONES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6140088-A | Stereoselective reductive amination of ketones | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-31 | — | — | US | disclosed |
| WO-2000004179-A1 | STEREOSELECTIVE REDUCTIVE AMINATION OF KETONES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-01-27 | — | — | 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-20020049342-A1 | Substituted alkylketo compounds and process | DAO, KMO, BCAT1 | MAPK1 491/4885SLC13A3 2526/4885EGLN1 1309/4885 |
“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.