Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL13736340 | 0.76 | APLNR (0.36) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL13734813 | 0.76 | GAA (0.38) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL12656228 | 0.72 | — | — | |
| SCHEMBL15770639 | 0.72 | APLNR (0.36) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL7115398 | 0.72 | TRPA1 (0.49) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL31234097 | 0.72 | LOXL2 (0.38) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL6302179 | 0.72 | GAA (0.42) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL26120655 | 0.72 | LOXL2 (0.38) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL15913692 | 0.72 | APLNR (0.37) | APLNRABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL6113959 | 0.72 | APLNR (0.47) | APLNRCYP1A2MAOAMIF |
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-4119631-A | Penicillins and their preparation | E. MERCK, PATENTABTEILUNG (DE) | 1978-10-10 | — | — | US | disclosed |
| US-4031230-A | Novel penicillins and their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-06-21 | — | — | US | disclosed |