Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 8/20 | 0.53 |
| ▸ | KARS1 | Q15046 | 4/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | RXRG | P48443 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22273253 | 0.86 | KARS1 (0.65) | TDP1KARS1RXRACCNE1CDK2 | |
| SCHEMBL19283122 | 0.77 | KARS1 (0.68) | TDP1KARS1RXRACCNE1CDK2 | |
| SCHEMBL19283114 | 0.73 | KARS1 (0.74) | TDP1KARS1RXRACCNE1CDK2 | |
| SCHEMBL2728664 | 0.72 | KARS1 (0.77) | TDP1KARS1RXRACCNE1CDK2 | |
| SCHEMBL2728667 | 0.72 | KARS1 (0.77) | TDP1KARS1RXRACCNE1CDK2 | |
| SCHEMBL19283118 | 0.72 | CCNE1 (0.61) | TDP1KARS1RXRACCNE1CDK2 | |
| SCHEMBL20856806 | 0.71 | TDP1 (0.82) | TDP1KARS1CYP3A4MEN1KMT2A | |
| SCHEMBL9112314 | 0.71 | TDP1 (0.82) | TDP1KARS1CYP3A4MEN1KMT2A | |
| SCHEMBL11817724 | 0.71 | TDP1 (0.82) | TDP1KARS1CYP3A4MEN1KMT2A | |
| SCHEMBL15344774 | 0.70 | KARS1 (0.70) | TDP1KARS1RXRACCNE1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019066711-A1 | NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING | ELINDER FREDRIK (SE) | 2019-04-04 | — | — | WO | disclosed |