Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11546150 | 0.99 | BLM (0.55) | SMPD1CYP3A4CYP1A2CYP2D6ABCB1 | |
| Hydrochloric Acid SCHEMBL11547741 | 0.93 | BLM (0.57) | SMPD1CYP3A4CYP1A2CYP2D6ABCB1 | |
| Hydrochloric Acid SCHEMBL11547035 | 0.90 | SMPD1 (0.48) | SMPD1CYP3A4CYP1A2CYP2D6ABCB1 | |
| SCHEMBL11546728 | 0.87 | PDE5A (0.47) | SMPD1MAPTHCN4KDM4EDRD2 | |
| Hydrochloric Acid SCHEMBL11547406 | 0.86 | PMP22 (0.52) | SMPD1CYP3A4CYP1A2CYP2D6ABCB1 | |
| SCHEMBL11550263 | 0.84 | L3MBTL1 (0.51) | SMPD1ABCB1MAPTABCC1SMN1; SMN2 | |
| SCHEMBL11547844 | 0.82 | TP53 (0.51) | MAPTKDM4ESMN1; SMN2TP53POLB | |
| Hydrochloric Acid SCHEMBL11553277 | 0.82 | BLM (0.54) | SMPD1CYP3A4CYP1A2CYP2D6ABCB1 | |
| SCHEMBL11547706 | 0.80 | MAPT (0.46) | ABCB1MAPTABCC1SMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL11549213 | 0.79 | SMN1; SMN2 (0.59) | SMPD1CYP3A4CYP1A2CYP2D6ABCB1 |
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-4134980-A | Phenylalkylamino-alkyl derivatives of quinazolinone and phthalazinone | BOEHRINGER INGELHEIM GMBH (DE) | 1979-01-16 | — | — | US | claimed |