Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8945493 | 0.93 | AKR1C3 (0.52) | LMNAALDH1A1KDM4EHPGDAKR1C3 | |
| SCHEMBL8945273 | 0.88 | NQO1 (0.44) | ALDH1A1KDM4EHPGDNQO1KMT2A | |
| SCHEMBL8945550 | 0.84 | NQO1 (0.50) | LMNAALDH1A1NQO1KMT2ACYP1A2 | |
| SCHEMBL8945267 | 0.84 | NQO1 (0.40) | LMNAALDH1A1KDM4EHPGDNQO1 | |
| SCHEMBL8945341 | 0.83 | NQO1 (0.40) | LMNAALDH1A1NQO1KMT2ACYP1A2 | |
| SCHEMBL8945487 | 0.81 | KDM4E (0.50) | LMNAALDH1A1KDM4EHPGDNQO1 | |
| SCHEMBL8945484 | 0.79 | NQO1 (0.40) | NQO1 | |
| SCHEMBL8945575 | 0.78 | NQO1 (0.40) | NQO1 | |
| SCHEMBL8945650 | 0.76 | CYP2C9 (0.50) | LMNAALDH1A1NQO1KMT2ACYP1A2 | |
| SCHEMBL6272751 | 0.74 | ALDH1A1 (0.55) | LMNAALDH1A1KDM4EHPGDAKR1C3 |
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-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |