Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919568 | 0.86 | HDAC1 (0.48) | KDM4EHDAC1HDAC6KMT2ALMNA | |
| SCHEMBL8919561 | 0.86 | HDAC1 (0.48) | KDM4EHDAC1HDAC6KMT2ALMNA | |
| SCHEMBL8921547 | 0.82 | THRB (0.54) | HDAC1HDAC6ALDH1A1MAPTKMT2A | |
| SCHEMBL8921545 | 0.82 | THRB (0.54) | HDAC1HDAC6ALDH1A1MAPTKMT2A | |
| SCHEMBL8920234 | 0.82 | THRB (0.54) | HDAC1HDAC6ALDH1A1MAPTKMT2A | |
| SCHEMBL8919241 | 0.81 | ALDH1A1 (0.37) | HDAC1HDAC6ALDH1A1MAPTKMT2A | |
| SCHEMBL8919231 | 0.81 | ALDH1A1 (0.37) | HDAC1HDAC6ALDH1A1MAPTKMT2A | |
| SCHEMBL8919987 | 0.79 | SMN1; SMN2 (0.55) | KDM4EHDAC1ALDH1A1KMT2ARAB9A | |
| SCHEMBL8918635 | 0.77 | HDAC3 (0.49) | KDM4EHDAC1HDAC6MAPTKMT2A | |
| SCHEMBL8918190 | 0.76 | P2RX7 (0.52) | KDM4EKMT2ANPC1LMNASMN1; SMN2 |
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-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |