Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.33 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL8112214 | 0.86 | PTGS2 (0.36) | ALDH1A1HSD17B10TDP1PTGS2 | |
| SCHEMBL8112216 | 0.86 | PTGS2 (0.36) | ALDH1A1HSD17B10TDP1PTGS2 | |
| SCHEMBL16381954 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1MEN1GAA | |
| SCHEMBL5845061 | 0.77 | ESR1 (0.56) | ESR1ESR2DRD2DRD3OPRK1 | |
| SCHEMBL17843016 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1MEN1GAA | |
| SCHEMBL28452012 | 0.77 | HTR2C (0.48) | ALDH1A1ESR1ESR2MLNRADRB2 | |
| SCHEMBL19889440 | 0.77 | DYRK1A (0.43) | ALDH1A1HSD17B10TDP1MEN1GAA | |
| SCHEMBL6861044 | 0.75 | TDP1 (0.51) | ALDH1A1TDP1MAPTESR1ESR2 | |
| SCHEMBL6855448 | 0.75 | TTR (0.47) | ALDH1A1TDP1GAAMAPTHPGD | |
| SCHEMBL6855454 | 0.75 | TTR (0.47) | ALDH1A1TDP1GAAMAPTHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6797714-B2 | HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION | BAYER PHARMACEUTICALS CORPORATION | 2004-09-28 | — | — | US | disclosed |
| US-20030013705-A1 | Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2003-01-16 | — | — | US | disclosed |
| US-6469031-B1 | USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS HYPER-TRIGLYCERIDAEMIA, HYPERCHOLESTEROLAEMIA AND IN LOWERING HIGH DENSITY LIPOPROTEIN LEVELS AS WELL AS IN THE TREATMENT OF ATHEROSCLEROTIC, CARDIOVASCULAR AND DIABETIC CONDITIONS | BAYER CORPORATION | 2002-10-22 | — | — | US | disclosed |
| EP-1040106-B1 | CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS | BAYER AG (US) | 2002-08-28 | — | — | 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-20030013705-A1 | Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists | ADRB3, ADRB1, ADRB2 | ALDH1A1 1345/4885HSD17B10 1326/4885TDP1 4547/4885 |
“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.