Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RRM1 | P23921 | 3/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.74 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.71 |
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | ESRRG | P62508 | 1/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.60 |
| ▸ | ECE1 | P42892 | 1/20 | 0.60 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836877 | 0.92 | RRM1 (0.85) | RRM1NPSR1NTRK1ESR1ESRRG | |
| SCHEMBL2836881 | 0.92 | RRM1 (0.85) | RRM1NPSR1NTRK1ESR1ESRRG | |
| SCHEMBL13475422 | 0.92 | RRM1 (0.85) | RRM1NPSR1NTRK1ESR1ESRRG | |
| SCHEMBL2830921 | 0.88 | RRM1 (0.79) | RRM1NPSR1NTRK1ESR1ESRRG | |
| SCHEMBL13475429 | 0.88 | RRM1 (0.79) | RRM1NPSR1NTRK1ESR1ESRRG | |
| SCHEMBL2830922 | 0.88 | RRM1 (0.79) | RRM1NPSR1NTRK1ESR1ESRRG | |
| SCHEMBL11782587 | 0.86 | RRM1 (0.75) | RRM1NPSR1NTRK1MAPTTP53 | |
| SCHEMBL11782593 | 0.86 | RRM1 (0.75) | RRM1NPSR1NTRK1MAPTTP53 | |
| SCHEMBL14983909 | 0.81 | DNM1 (0.82) | RRM1NTRK1ESR1ESRRGESR2 | |
| SCHEMBL1638502 | 0.80 | NTRK1 (1.00) | RRM1NPSR1NTRK1MAPTTP53 |
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-2017100644-A1 | METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE | CASE WESTERN RESERVE UNIVERSITY (US) | 2017-06-15 | — | — | WO | disclosed |