Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | RARA | P10276 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TOP1 | P11387 | 1/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 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 | |
|---|---|---|---|---|
| SCHEMBL9789522 | 0.81 | RARB (0.74) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL9789524 | 0.81 | RARB (0.74) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL11494255 | 0.81 | RARB (0.69) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL11494258 | 0.81 | RARB (0.69) | RARBALDH1A1MEN1RARAMAPT | |
| SCHEMBL3779173 | 0.79 | ESR1 (0.50) | ALDH1A1MEN1MAPTKMT2ATOP1 | |
| SCHEMBL3779170 | 0.79 | ESR1 (0.50) | ALDH1A1MEN1MAPTKMT2ATOP1 | |
| SCHEMBL19031833 | 0.78 | MAOB (0.62) | TOP1TP53TSHRSMN1; SMN2 | |
| SCHEMBL9506114 | 0.78 | MAOB (0.62) | ALDH1A1TOP1TP53TSHR | |
| SCHEMBL19031834 | 0.78 | MAOB (0.62) | TOP1TP53TSHRSMN1; SMN2 | |
| SCHEMBL5020596 | 0.78 | MAOB (0.62) | ALDH1A1TOP1TP53TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4746659-A | TREATING LEUKEMIA OR AN ASCITES TUMOR | SRI INTERNATIONAL (US) | 1988-05-24 | — | — | US | disclosed |
| EP-0254726-A1 | 1,L-10-ethyl-10-deazaminopterin and process for preparing diastereoisomers of 10-alkyl-10-deazaminopterins | SRI INTERNATIONAL (US) | 1988-02-03 | — | — | EP | disclosed |
| WO-1987004161-A1 | DIASTEREOMERS OF 10-ALKYL-10-DIAZAMINOPTERINS AND PROCESS FOR PREPARING THE SAME | SRI INTERNATIONAL (US) | 1987-07-16 | — | — | WO | disclosed |