Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HSPE1 | P61604 | 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 | |
|---|---|---|---|---|
| SCHEMBL192180 | 0.91 | CYP3A4 (0.44) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL5480668 | 0.90 | CYP3A4 (0.39) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL1420395 | 0.81 | TSHR (0.38) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL4125234 | 0.78 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL1420057 | 0.78 | TSHR (0.36) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL3394207 | 0.77 | CYP3A4 (0.44) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL1218841 | 0.74 | CYP3A4 (0.37) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL910051 | 0.74 | RECQL (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL7945598 | 0.74 | CYP3A4 (0.62) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL11140325 | 0.73 | RECQL (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 |
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-4350531-A | MONOALKYL PHOSPHATE AND ALIPHATIC ESTERS OR HIGH BOILING HYDROCARBONS | BASF AKTIENGESELLSCHAFT (DE) | 1982-09-21 | — | — | US | disclosed |