Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL3249156 | 0.77 | HRH3 (0.43) | HTTALDH1A1MAPTHRH3 | |
| SCHEMBL578310 | 0.77 | CYP2A6 (0.50) | CYP2A6LOXL2TSHRHSD17B10ALDH1A1 | |
| SCHEMBL9138733 | 0.76 | MMP2 (0.52) | CYP2A6LOXL2HTTSAE1UBA2 | |
| SCHEMBL5718103 | 0.76 | CYP2A6 (0.48) | CYP2A6LOXL2HTTTSHRHSD17B10 | |
| SCHEMBL29572432 | 0.75 | CYP2A6 (0.48) | CYP2A6LOXL2TSHRHSD17B10ALDH1A1 | |
| SCHEMBL11744193 | 0.75 | CYP2A6 (0.48) | CYP2A6LOXL2HTTTSHRHSD17B10 | |
| SCHEMBL10924475 | 0.74 | CYP2A6 (0.47) | CYP2A6LOXL2HTTTSHRHSD17B10 | |
| SCHEMBL2033357 | 0.74 | FDPS (0.42) | LOXL2TSHRALDH1A1MAPT | |
| SCHEMBL10910029 | 0.74 | ESR1 (0.42) | HSD17B10ALDH1A1 | |
| SCHEMBL7891127 | 0.73 | CYP2A6 (0.46) | CYP2A6LOXL2HTTALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-4891153-A | Mixtures of fluorescent whitening agents | CIBA-GEIGY CORPORATION (US) | 1990-01-02 | — | — | US | disclosed |
| US-4778622-A | Mixtures of fluorescent whitening agents | CIBA-GEIGY CORPORATION (US) | 1988-10-18 | — | — | US | disclosed |