Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL2138200 | 0.85 | KDM4E (0.47) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| Naphthalene SCHEMBL3422961 | 0.85 | KDM4E (0.47) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| Naphthalene SCHEMBL3422143 | 0.85 | KDM4E (0.47) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| Naphthalene SCHEMBL28211669 | 0.83 | KDM4E (0.45) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| Methacrylic Acid SCHEMBL7560025 | 0.83 | TDP1 (0.36) | ALDH1A1TSHRTDP1 | |
| Benzil SCHEMBL7619057 | 0.78 | CES2 (0.56) | ALDH1A1HPGDMAPTSMN1; SMN2CES2 | |
| Anthracene SCHEMBL1711588 | 0.77 | KDM4E (0.45) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| Anthracene SCHEMBL29778690 | 0.77 | KDM4E (0.45) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| SCHEMBL23950 | 0.76 | — | — | |
| SCHEMBL2137763 | 0.76 | TET2 (0.39) | ALDH1A1TSHR |
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-2002068527-A2 | NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST | ARCH SPECIALTY CHEMICALS, INC. (US) | 2002-09-06 | — | — | WO | disclosed |