Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PYGL | P06737 | 2/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PPIA | P62937 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28626296 | 0.73 | ALOX12 (0.54) | ALOX12EPHX1LMNAGAANPC1 | |
| SCHEMBL7690875 | 0.70 | TRPA1 (0.40) | CXCR2ALDH1A1POLB | |
| SCHEMBL6261212 | 0.68 | DAPK3 (0.48) | ALOX12EPHX1LMNAGAANPC1 | |
| SCHEMBL7692912 | 0.68 | ANPEP (0.38) | CXCR2 | |
| SCHEMBL3879390 | 0.66 | TRPA1 (0.45) | LMNAGAANPC1RAB9AKMT2A | |
| SCHEMBL7688598 | 0.64 | CTSC (0.46) | ALOX12KMT2ACXCR2ALDH1A1POLB | |
| SCHEMBL22429117 | 0.64 | ALOX12 (0.57) | ALOX12EPHX1LMNAGAANPC1 | |
| Ethane SCHEMBL27581278 | 0.63 | TRPA1 (0.63) | ALOX12EPHX1LMNAGAAPPIA | |
| SCHEMBL17975814 | 0.63 | SHBG (0.34) | EPHX1ALDH1A1 | |
| SCHEMBL6723616 | 0.63 | EPHX1 (0.60) | ALOX12EPHX1LMNANPC1RAB9A |
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-6339159-B1 | REACTING AN ALDEHYDE COMPOUND, AN AMINO COMPOUND AND HYDROGEN CYANATE IN THE PRESENCE OF A CHIRAL ZIRCONIUM CATALYST OBTAINED BY MIXING ZIRCONIUM ALKOXIDE WITH OPTICALLY ACTIVE BINAPHTHOL COMPOUND TO FORM ALPHA-AMINONITRILE | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2002-01-15 | — | — | US | disclosed |