Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | PARG | Q86W56 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CLPP | Q16740 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749159 | 0.89 | HPGD (0.68) | CYP3A4HPGDALDH1A1GAACRHBP | |
| SCHEMBL28405041 | 0.84 | CYP3A4 (0.47) | CYP3A4HPGDGAACRHBPCRHR2 | |
| SCHEMBL29142975 | 0.81 | CYP3A4 (1.00) | CYP3A4HPGDALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL4809767 | 0.77 | CYP3A4 (0.66) | CYP3A4HPGDALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL10065404 | 0.76 | CYP3A4 (0.60) | CYP3A4HPGDALDH1A1RXFP1PARG | |
| SCHEMBL18257779 | 0.74 | DPP4 (0.71) | — | |
| SCHEMBL17582653 | 0.73 | ALDH1A1 (0.66) | CYP3A4HPGDALDH1A1GAAMAPT | |
| SCHEMBL28411396 | 0.72 | CLPP (0.53) | CYP3A4HPGDPARGIDH1LMNA | |
| SCHEMBL8443447 | 0.70 | CYP19A1 (0.45) | P2RX3CYP19A1HTR2CCA12CA9 | |
| Acetic Acid SCHEMBL4812178 | 0.69 | CYP3A4 (0.71) | CYP3A4HPGDALDH1A1LMNASMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0203721-B1 | 8-PHENYL XANTHINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-06-10 | — | — | EP | disclosed |
| US-5017577-A | Using Purine Cinnamic Acids | BURROUGHS WELLCOME CO. (US) | 1991-05-21 | — | — | US | disclosed |
| US-5015647-A | Using Purine Cinnamic Acid Compounds | BURROUGHS WELLCOME CO. (US) | 1991-05-14 | — | — | US | disclosed |
| US-4981857-A | ADENOSINE ANTAGONIST | BURROUGHS WELLCOME CO. (US) | 1991-01-01 | — | — | US | disclosed |
| US-4879296-A | BLOCKING ADERNOSINE CELL SURFACE EFFECTS | BURROUGHS WELLCOME CO. (US) | 1989-11-07 | — | — | US | disclosed |
| EP-0203721-A2 | 8-Phenyl xanthines | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-12-03 | — | — | EP | disclosed |