Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL335423 | 0.88 | CYP1A2 (0.63) | CYP1A2CYP2C9ALDH1A1LMNAHPGD | |
| SCHEMBL3459786 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP2C9ALDH1A1LMNAHPGD | |
| SCHEMBL7072020 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP2C9ALDH1A1LMNAHPGD | |
| SCHEMBL6233308 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2C9ALDH1A1LMNASMN1; SMN2 | |
| Sulfuric Acid SCHEMBL31183034 | 0.82 | CYP1A2 (0.84) | CYP1A2CYP2C9PKMALDH1A1KDM4E | |
| SCHEMBL335424 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP2C9ALDH1A1HPGDKMT2A | |
| P-Xylene SCHEMBL3752326 | 0.80 | CYP1A2 (0.70) | CYP1A2CYP2C9ALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL2729317 | 0.80 | CYP1A2 (0.80) | CYP1A2CYP2C9PKMALDH1A1PDE4D | |
| SCHEMBL10387619 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP2C9ALDH1A1LMNAKMT2A | |
| SCHEMBL4015131 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP2C9ALDH1A1LMNASMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2004092181-A9 | HETEROCYCLIC MCHR1 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2005-01-27 | — | — | WO | disclosed |