Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5998808 | 0.84 | NPC1 (0.43) | HPGDNPC1RAB9AKCNK3POLB | |
| SCHEMBL1426474 | 0.84 | NPC1 (0.43) | HPGDNPC1RAB9AKCNK3POLB | |
| SCHEMBL1426471 | 0.84 | NPC1 (0.43) | HPGDNPC1RAB9AKCNK3POLB | |
| SCHEMBL31607659 | 0.82 | NPC1 (0.36) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL27209010 | 0.82 | NPC1 (0.36) | KDM4EALDH1A1HPGDHSD17B10NPC1 | |
| SCHEMBL31114555 | 0.81 | CYP3A4 (0.35) | KDM4EALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL8200609 | 0.80 | NPC1 (0.41) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL8200612 | 0.80 | NPC1 (0.41) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL9152862 | 0.80 | NPC1 (0.41) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL31718528 | 0.78 | CYP3A4 (0.35) | KDM4EALDH1A1HPGDNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5371268-A | Ortho-substituted benzyl esters of cyclopropanecarboxylic acids | BASF AKTIENGESELLSCHAFT (DE) | 1994-12-06 | — | — | US | disclosed |
| US-5194622-A | Chemical condensation of an aldehyde of an azole and a phosphonium derivative | ROUSSEL UCLAF (FR) | 1993-03-16 | — | — | US | disclosed |