Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1694140 | 0.79 | CES2 (0.59) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL9417408 | 0.76 | CES1 (0.48) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL5947952 | 0.76 | TSHR (0.52) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL28129843 | 0.74 | CES2 (0.59) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL4666678 | 0.74 | TSHR (0.48) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL8059852 | 0.73 | TSHR (0.43) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL8418200 | 0.72 | TDP1 (0.52) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL28193158 | 0.72 | TSHR (0.42) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL4530513 | 0.71 | TSHR (0.45) | TSHRCES1MEN1KMT2AMAPT | |
| SCHEMBL20300558 | 0.69 | MAPT (0.46) | TSHRCES1MEN1KMT2AMAPT |
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-9663460-B2 | Sulfur derivatives as chemokine receptor modulators | ALLERGAN, INC. (US) | 2017-05-30 | — | — | US | disclosed |