Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325321 | 0.85 | ADORA2A (0.49) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7322971 | 0.82 | NPC1 (0.41) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7323231 | 0.80 | ALDH1A1 (0.43) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7317091 | 0.80 | PDGFRB (0.38) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7324311 | 0.80 | KDM4E (0.40) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7314123 | 0.80 | KDM4E (0.37) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7315751 | 0.80 | RAB9A (0.43) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7317490 | 0.79 | KDM4E (0.40) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7318937 | 0.79 | CHRNA7 (0.38) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL7324755 | 0.79 | ALDH1A1 (0.37) | ALDH1A1KDM4ENPC1RAB9AHSD17B10 |
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-6166041-A | 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma | EURO-CELTIQUE, S.A. (LU) | 2000-12-26 | — | — | US | claimed |
| US-6166041-A | 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma | EURO-CELTIQUE, S.A. (LU) | 2000-12-26 | — | — | US | disclosed |