Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 6/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL10339755 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP2A6ACHETDP1CA1 | |
| Thiocyanic Acid SCHEMBL32679420 | 0.86 | ALDH1A1 (0.68) | ALDH1A1CYP2A6ACHETDP1IDO1 | |
| Toluene SCHEMBL28183150 | 0.84 | TSHR (0.65) | ALDH1A1CYP2A6ACHETDP1CA1 | |
| Toluene SCHEMBL7459103 | 0.84 | TSHR (0.65) | ALDH1A1CYP2A6ACHETDP1CA1 | |
| Toluene SCHEMBL5354973 | 0.82 | TSHR (0.61) | ALDH1A1CYP2A6ACHETDP1CA1 | |
| Thiocyanic Acid SCHEMBL32679422 | 0.82 | RAB9A (0.52) | ALDH1A1CYP2A6ACHETDP1TSHR | |
| P-Xylene SCHEMBL1443687 | 0.81 | ACHE (0.61) | ALDH1A1CYP2A6ACHETDP1CA1 | |
| P-Xylene SCHEMBL461064 | 0.80 | ACHE (0.89) | ALDH1A1CYP2A6ACHETDP1CA1 | |
| P-Xylene SCHEMBL18229935 | 0.80 | — | — | |
| P-Xylene SCHEMBL28067071 | 0.80 | ACHE (0.89) | ALDH1A1CYP2A6ACHETDP1CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2258987-A | — | — | None | — | — | JP | disclosed |
| JP-H02258987-A | METHOD FOR PREVENTING CORROSION OF STEEL PIPE FOR GEOTHERMAL WELL | SANSHIN CHEM IND CO LTD | 1990-10-19 | — | — | JP | disclosed |