Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497392 | 0.84 | CYP1A2 (0.73) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL5497394 | 0.84 | CYP1A2 (0.73) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL723113 | 0.79 | MAPT (0.44) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL16978402 | 0.76 | CYP1A2 (0.61) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL16968369 | 0.76 | CYP1A2 (0.61) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL723432 | 0.76 | SMN1; SMN2 (0.48) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL27883 | 0.75 | CA12 (0.65) | CYP1A2CYP1A1CYP1B1ALDH1A1TRPA1 | |
| SCHEMBL28581898 | 0.75 | RAB9A (0.43) | ALDH1A1HTTMAPTHPGDSMN1; SMN2 | |
| SCHEMBL6506544 | 0.75 | L3MBTL1 (0.46) | CYP1A2CYP1A1CYP1B1ALDH1A1HTT | |
| SCHEMBL28889596 | 0.73 | RAB9A (0.42) | ALDH1A1HTTMAPTHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5840684-A | Glycopeptide antibiotic derivatives | ELI LILLY AND COMPANY (US) | 1998-11-24 | — | — | US | disclosed |