Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 2/20 | 0.66 |
| ▸ | HTR2A | P28223 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | MC5R | P33032 | 1/20 | 0.57 |
| ▸ | MC3R | P41968 | 1/20 | 0.57 |
| ▸ | MC1R | Q01726 | 1/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7397625 | 0.89 | CYP1A2 (0.73) | SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL9542634 | 0.88 | HTR2A (0.63) | CYP1A2CYP2C19PKMHTR2AKMT2A | |
| SCHEMBL10883672 | 0.85 | NMBR (0.59) | SMN1; SMN2CYP1A2CYP2C19CYP3A4PKM | |
| SCHEMBL7144840 | 0.84 | HTR2A (0.58) | CYP1A2CYP2C19PKMHTR2AKMT2A | |
| SCHEMBL392573 | 0.83 | SMN1; SMN2 (0.85) | SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL660463 | 0.81 | MC5R (0.66) | SMN1; SMN2CYP1A2CYP2C19PKMHTR2A | |
| SCHEMBL29489675 | 0.81 | MC5R (0.66) | SMN1; SMN2CYP1A2CYP2C19PKMHTR2A | |
| SCHEMBL20441292 | 0.81 | SMN1; SMN2 (0.62) | SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL9374131 | 0.81 | SMN1; SMN2 (1.00) | SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL3427633 | 0.80 | MC5R (0.64) | CYP1A2CYP2C19PKMHTR2AKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001020995-A9 | COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF | UNIV WASHINGTON (US) | 2002-11-14 | — | — | WO | disclosed |
| WO-2001020995-A1 | COMPOUNDS DIRECTED AGAINST PILUS BIOGENESIS AND ACTIVITY IN PATHOGENIC BACTERIA; METHODS AND COMPOSITIONS FOR SYNTHESIS THEREOF | WASHINGTON UNIVERSITY (US) | 2001-03-29 | — | — | WO | disclosed |