Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL2239733 | 0.94 | LMNA (0.43) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL28600097 | 0.91 | CA12 (0.40) | CA2CA1CA12CA7CA14 | |
| SCHEMBL28561609 | 0.88 | LMNA (0.50) | ALDH1A1LMNADNM1 | |
| SCHEMBL27901572 | 0.88 | LMNA (0.50) | ALDH1A1LMNADNM1 | |
| SCHEMBL28117654 | 0.88 | LMNA (0.50) | ALDH1A1LMNADNM1 | |
| SCHEMBL337511 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL6685167 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| SCHEMBL11444851 | 0.86 | CYP3A4 (0.49) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| Hydrochloric Acid SCHEMBL11224129 | 0.86 | CYP3A4 (0.49) | ALDH1A1CYP3A4TSHRTDP1ATM | |
| Alcohol SCHEMBL29088675 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRTDP1ATM |
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-5922654-A | TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE | NSK LTD. (JP) | 1999-07-13 | — | — | US | disclosed |