Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10259329 | 0.79 | ALOX15 (0.50) | PIN1ALOX15ALOX12KDM4EALDH1A1 | |
| SCHEMBL11554561 | 0.79 | CYP2A6 (0.47) | PIN1CYP2A6ALOX15ALOX12CTRC | |
| SCHEMBL11364286 | 0.76 | GPR35 (0.46) | ALOX15ALOX12KDM4EALDH1A1NPC1 | |
| SCHEMBL11404213 | 0.71 | KMT2A (0.49) | PIN1CYP2A6ALOX15ALOX12KDM4E | |
| SCHEMBL22414879 | 0.71 | KMT2A (0.40) | PIN1ALOX15ALOX12KDM4EALDH1A1 | |
| SCHEMBL22414717 | 0.71 | ALOX15 (0.42) | PIN1ALOX15ALOX12CTRCKDM4E | |
| SCHEMBL22414882 | 0.70 | KMT2A (0.39) | PIN1ALOX15ALOX12KDM4EALDH1A1 | |
| SCHEMBL22414942 | 0.70 | KMT2A (0.39) | PIN1ALOX15ALOX12KDM4EALDH1A1 | |
| SCHEMBL13935844 | 0.69 | AHR (0.42) | CYP2A6CTRCKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11362018 | 0.69 | CRHBP (0.44) | PIN1ALOX15ALOX12KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4298532-A | INTERMEDIATES FOR MICROBIOCIDES | RIKER LABORATORIES, INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4260547-A | MICROBIOCIDES | RIKER LABORATORIES, INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4231965-A | CHEMICAL INTERMEDIATES FOR MICROBIOCIDES | RIKER LABORATORIES, INC. (US) | 1980-11-04 | — | — | US | disclosed |
| US-4154848-A | MICROBIOCIDES, BACTERICIDES | RIKER LABORATORIES, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4128659-A | 2-NITRO-3-PHENYL-BENZOFURANS | RIKER LABORATORIES, INC. (US) | 1978-12-05 | — | — | US | disclosed |