Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAD52 | P43351 | 5/20 | 0.47 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.45 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8415116 | 0.87 | HDAC1 (0.69) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| SCHEMBL7573624 | 0.85 | HDAC1 (0.65) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| SCHEMBL14440618 | 0.85 | HDAC1 (0.61) | HDAC1HDAC6AOX1ALDH1A1RAD52 | |
| SCHEMBL2447168 | 0.83 | KDM4E (0.69) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| SCHEMBL14439636 | 0.83 | HDAC1 (0.64) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL7561189 | 0.81 | HDAC1 (0.64) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| SCHEMBL29369424 | 0.80 | AOX1 (0.78) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| SCHEMBL105276 | 0.80 | AOX1 (0.78) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| SCHEMBL8891858 | 0.80 | HDAC1 (0.56) | HDAC1HDAC6AOX1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL29608361 | 0.79 | AOX1 (0.77) | HDAC1HDAC6AOX1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997027179-A2 | ANTIRETROVIRAL BASES | NOVARTIS AG (CH) | 1997-07-31 | — | — | WO | disclosed |