Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10671037 | 0.83 | ALOX5 (0.40) | ALDH1A1LMNAMAOAMAPTCYP3A4 | |
| SCHEMBL10669570 | 0.83 | ALDH1A1 (0.39) | ALDH1A1LMNAMAOAMAPTSMN1; SMN2 | |
| SCHEMBL10516126 | 0.81 | ATP1A1 (0.47) | ALDH1A1LMNAMAOAMAPTSMN1; SMN2 | |
| SCHEMBL10670231 | 0.77 | CYP3A4 (0.46) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL10669999 | 0.77 | KMT2A (0.45) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL10514382 | 0.71 | ATP1A1 (0.46) | ALDH1A1MAOACYP3A4CYP2C9TSHR | |
| SCHEMBL10515926 | 0.69 | CYP3A4 (0.54) | ALDH1A1LMNAMAOAMAPTSMN1; SMN2 | |
| SCHEMBL28550562 | 0.68 | TERT (0.43) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL10669142 | 0.68 | F10 (0.42) | ALDH1A1LMNAMAOAMAPTCYP3A4 | |
| SCHEMBL10516555 | 0.68 | ALDH1A1 (0.69) | ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4788215-A | TREATMENT OF HYPERTHYROIDISM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-11-29 | — | — | US | disclosed |
| US-4713465-A | Flavanone intermediates for halogenohydroxyflavones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-15 | — | — | US | disclosed |