Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | FDPS | P14324 | 6/20 | 0.56 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.56 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.56 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17702713 | 0.90 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL14036411 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL14767530 | 0.77 | FDPS (0.68) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL14036231 | 0.77 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL15516269 | 0.77 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL5015606 | 0.75 | FDPS (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL11240731 | 0.74 | FDPS (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL11806774 | 0.73 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL74145 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL11231844 | 0.72 | FDPS (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-8450488-B2 | Process for the preparation of [1-hydroxy-2-(3-pyridinyl)ethylidene] bisphosphonic acid and hemipentahydrate monosodium salt thereof | ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) | 2013-05-28 | — | — | US | disclosed |