Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL836289 | 0.80 | POLB (0.45) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9059236 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL10985595 | 0.77 | MAPT (0.41) | IDO1ALDH1A1NPC1MAPTLMNA | |
| SCHEMBL5840849 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL28901909 | 0.74 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL849744 | 0.74 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL19339699 | 0.74 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL10987757 | 0.72 | MAPT (0.58) | CYP3A4ALDH1A1RAB9ANPC1MAPT | |
| Hydrochloric Acid SCHEMBL3464344 | 0.72 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6563764 | 0.72 | ALDH1A1 (0.41) | CYP2C9CYP2C19ALDH1A1RAB9ANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0034945-B1 | N-PHENYLPYRAZOLE DERIVATIVES | MAY & BAKER LIMITED (GB) | 1985-08-07 | — | — | EP | disclosed |
| US-4496390-A | WEED-CONTRTOLLING HERBICIDES | MAY & BAKER LIMITED (GB) | 1985-01-29 | — | — | US | disclosed |
| EP-0034945-A2 | N-phenylpyrazole derivatives | MAY & BAKER LIMITED (GB) | 1981-09-02 | — | — | EP | disclosed |