Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL703363 | 0.88 | HTR2A (0.32) | ALDH1A1MAPT | |
| SCHEMBL706873 | 0.83 | CALM1 (0.38) | ALDH1A1MAPT | |
| SCHEMBL416285 | 0.77 | LTA4H (0.38) | LTA4HEPHX2MEN1KMT2A | |
| SCHEMBL8680276 | 0.77 | HDAC3 (0.42) | — | |
| SCHEMBL11515611 | 0.77 | TDP1 (0.36) | TDP1TSHRALDH1A1 | |
| SCHEMBL706709 | 0.77 | CALM1 (0.35) | TDP1TSHRALDH1A1HSD17B10HPGD | |
| SCHEMBL561211 | 0.76 | DNM1 (0.40) | ALDH1A1CYP1A2CYP2C19LTA4HEPHX2 | |
| SCHEMBL3518057 | 0.76 | DNM1 (0.40) | ALDH1A1CYP1A2CYP2C19LTA4HEPHX2 | |
| SCHEMBL5973640 | 0.76 | DNM1 (0.40) | ALDH1A1CYP1A2CYP2C19LTA4HEPHX2 | |
| SCHEMBL28536133 | 0.76 | KCNA3 (0.30) | — |
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-4139403-A | Dinitroalkyl and fluorodinitroalkyl silicon compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1979-02-13 | — | — | US | disclosed |