Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 3/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11315003 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL17088421 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL9710156 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL6946618 | 0.84 | ALDH1A1 (0.63) | CYP3A4CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL13347699 | 0.82 | ALDH1A1 (0.61) | CYP3A4CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL17088424 | 0.80 | CYP3A4 (0.45) | CYP3A4CYP2D6KDM4EALDH1A1HPGD | |
| SCHEMBL3458574 | 0.78 | NR5A1 (0.61) | KDM4EALDH1A1HPGDHTTNR5A1 | |
| SCHEMBL1958536 | 0.78 | NR5A1 (0.61) | KDM4EALDH1A1HPGDHTTNR5A1 | |
| SCHEMBL2119770 | 0.78 | NR5A1 (0.61) | KDM4EALDH1A1HPGDHTTNR5A1 | |
| SCHEMBL1960613 | 0.78 | NR5A1 (0.61) | KDM4EALDH1A1HPGDHTTNR5A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4297277-A | FUNGICIDES ANTISEPTICS | ELI LILLY AND COMPANY (US) | 1981-10-27 | — | — | US | claimed |
| US-4293486-A | ANTIFUNGAL PEPTIDES | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | claimed |
| US-4293484-A | ANTIFUNGAL PEPTIDES | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | claimed |
| US-4293489-A | ANTIFUNGAL PEPTIDES | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | claimed |
| US-4289692-A | CYCLIC PEPTIDE ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1981-09-15 | — | — | US | claimed |
| EP-0031220-A1 | Derivatives of cyclic peptide nuclei | ELI LILLY AND COMPANY (US) | 1981-07-01 | — | — | EP | claimed |
| US-4297277-A | FUNGICIDES ANTISEPTICS | ELI LILLY AND COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4293486-A | ANTIFUNGAL PEPTIDES | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | disclosed |
| US-4293484-A | ANTIFUNGAL PEPTIDES | ELI LILLY AND COMPANY (US) | 1981-10-06 | — | — | US | disclosed |
| US-4289692-A | CYCLIC PEPTIDE ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1981-09-15 | — | — | US | disclosed |
| EP-0031220-A1 | Derivatives of cyclic peptide nuclei | ELI LILLY AND COMPANY (US) | 1981-07-01 | — | — | EP | disclosed |