Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | UBE2N | P61088 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699128 | 0.93 | DHFR (0.40) | NQO2MAPTPOLBNPC1LMNA | |
| SCHEMBL1282091 | 0.87 | SMN1; SMN2 (0.45) | NQO2POLBLMNAMEN1RAD52 | |
| SCHEMBL29636842 | 0.87 | SMN1; SMN2 (0.45) | NQO2POLBLMNAMEN1RAD52 | |
| SCHEMBL28499601 | 0.81 | AXL (0.38) | NQO2MAPTPOLBNPC1PDE3B | |
| SCHEMBL17372498 | 0.81 | KDR (0.42) | MAPTPOLBNPC1PKMALDH1A1 | |
| SCHEMBL5470172 | 0.79 | KDM4E (0.46) | NQO2MAPTPOLBNPC1MEN1 | |
| SCHEMBL15647874 | 0.78 | EGFR (0.38) | NQO2MAPTPOLBPDE3BPDE3A | |
| SCHEMBL9594784 | 0.77 | PDE3B (0.46) | NQO2MAPTPOLBNPC1LMNA | |
| SCHEMBL9593890 | 0.77 | NQO2 (0.47) | NQO2MAPTPOLBNPC1LMNA | |
| SCHEMBL20511938 | 0.76 | PDE4A (0.44) | NQO2MAPTPOLBNPC1LMNA |
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-2018229139-A1 | NOVEL COMPOUNDS FOR USE IN CANCER | FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) | 2018-12-20 | — | — | WO | disclosed |