Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12396038 | 0.89 | TSHR (0.46) | CYP1A2TSHRCYP3A4HTTPOLB | |
| SCHEMBL29017102 | 0.84 | SNCA (0.47) | CYP1A2TSHRHTTPOLBHSD17B10 | |
| SCHEMBL14659288 | 0.84 | TSHR (0.50) | CYP1A2TSHRCYP3A4HTTPOLB | |
| SCHEMBL14658802 | 0.84 | CYP1A2 (0.46) | CYP1A2TSHRCYP3A4HTTPOLB | |
| SCHEMBL14752234 | 0.84 | MEN1 (0.50) | CYP1A2TSHRCYP3A4HTTPOLB | |
| SCHEMBL2554501 | 0.84 | TSHR (0.50) | CYP1A2TSHRCYP3A4HTTPOLB | |
| SCHEMBL26490900 | 0.83 | CYP1A2 (0.44) | CYP1A2TSHRCYP3A4HTTHSD17B10 | |
| SCHEMBL12658952 | 0.81 | SNCA (0.50) | CYP1A2TSHRCYP3A4HTTPOLB | |
| SCHEMBL772362 | 0.81 | TSHR (0.58) | CYP1A2TSHRCYP3A4HTTHSD17B10 | |
| SCHEMBL30313522 | 0.81 | TSHR (0.58) | CYP1A2TSHRCYP3A4HTTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046917-A1 | Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process | BAYER AG (DE) | 1982-03-10 | — | — | EP | disclosed |