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 |
| ▸ | 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 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL849744 | 0.83 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL3464344 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL10981978 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL5840849 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL28901909 | 0.74 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL19339699 | 0.74 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL879876 | 0.71 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL8292659 | 0.71 | RAB9A (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12883522 | 0.71 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6831800 | 0.71 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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-1996019477-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-06-27 | — | — | WO | disclosed |