Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29526094 | 0.87 | ALDH1A1 (0.40) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Bromide SCHEMBL2466692 | 0.83 | ALDH1A1 (0.38) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Fluoride Ion SCHEMBL2463417 | 0.83 | ALDH1A1 (0.39) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL63255 | 0.83 | ALDH1A1 (0.38) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Water SCHEMBL6847549 | 0.83 | ALDH1A1 (0.38) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Iodide SCHEMBL5138232 | 0.83 | ALDH1A1 (0.38) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| SCHEMBL7047219 | 0.81 | CYP3A4 (0.33) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL10391734 | 0.80 | ALDH1A1 (0.35) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Water SCHEMBL3469001 | 0.80 | ALDH1A1 (0.35) | CYP3A4TDP1ALDH1A1KDM4ENPC1 | |
| Arsenic SCHEMBL27727223 | 0.80 | ALDH1A1 (0.35) | CYP3A4TDP1ALDH1A1KDM4ENPC1 |
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-4247620-A | TETRAARYL PHOSPHONIUM, AMMONIUM OR ARSONIUM METAL POLYCARBOXYLATES | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1981-01-27 | — | — | US | disclosed |