Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | PLK1 | P53350 | 1/20 | 0.51 |
| ▸ | RORC | P51449 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.43 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16601580 | 0.88 | HTT (0.52) | TSHRHTTPLK1CYP3A4CYP2D6 | |
| SCHEMBL5986135 | 0.88 | TSHR (0.70) | TSHRHTTPLK1CYP3A4CYP2D6 | |
| SCHEMBL20116324 | 0.84 | SLC5A1 (0.52) | TSHRHTTPLK1RORCCYP3A4 | |
| SCHEMBL30336383 | 0.84 | SLC5A1 (0.52) | TSHRHTTPLK1RORCCYP3A4 | |
| SCHEMBL10196932 | 0.84 | TSHR (0.55) | TSHRHTTPLK1CYP3A4CYP2D6 | |
| SCHEMBL13367640 | 0.84 | TSHR (0.51) | TSHRHTTPLK1CYP3A4CYP2D6 | |
| SCHEMBL13962147 | 0.83 | RORC (0.45) | TSHRHTTPLK1RORCPOLB | |
| SCHEMBL9275467 | 0.83 | CHRM5 (0.57) | TSHRHTTRORCCYP3A4CYP2D6 | |
| SCHEMBL8127407 | 0.83 | ATAD2 (0.56) | TSHRHTTPLK1RORCKMT2A | |
| SCHEMBL15786430 | 0.82 | TSHR (0.50) | TSHRHTTPLK1CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019209948-A9 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-01-02 | — | — | WO | disclosed |
| WO-2019018795-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2019-01-24 | — | — | WO | disclosed |
| WO-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |
| US-8993585-B2 | Cyclic amine substituted pyrimidinediamines as PKC inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2015-03-31 | — | — | US | disclosed |