Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18467651 | 0.67 | CYP1A2 (0.48) | ALDH1A1USP2HPGDCYP1A2RECQL | |
| SCHEMBL18598053 | 0.67 | ALDH1A1 (0.45) | ALDH1A1USP2HPGDCYP1A2RECQL | |
| SCHEMBL20272283 | 0.67 | ALDH1A1 (0.45) | ALDH1A1USP2HPGDCYP1A2RECQL | |
| SCHEMBL10089409 | 0.65 | RAB9A (0.68) | RAB9ANPC1SMN1; SMN2EPHX1MEN1 | |
| SCHEMBL19425317 | 0.65 | ALDH1A1 (0.45) | ALDH1A1USP2HPGDCYP1A2RECQL | |
| SCHEMBL4613238 | 0.64 | CYP1A2 (0.56) | ALDH1A1CYP1A2RECQLRAB9ANPC1 | |
| SCHEMBL2096821 | 0.64 | RAB9A (0.62) | ALDH1A1HPGDCYP1A2RAB9ANPC1 | |
| SCHEMBL25478350 | 0.64 | DEGS1 (0.68) | ALDH1A1HPGDCYP1A2RAB9ANPC1 | |
| SCHEMBL3500248 | 0.64 | KMT2A (0.65) | ALDH1A1CYP1A2RECQLMEN1KMT2A | |
| SCHEMBL1176635 | 0.63 | MEN1 (0.69) | ALDH1A1CYP1A2RAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9562019-B2 | Substituted pyridazines as EGFR and/or KRAS inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2017-02-07 | — | — | US | disclosed |