Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.71 |
| ▸ | MEN1 | O00255 | 7/20 | 0.71 |
| ▸ | RAB9A | P51151 | 4/20 | 0.71 |
| ▸ | NPC1 | O15118 | 4/20 | 0.71 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.71 |
| ▸ | MAPT | P10636 | 6/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8509244 | 1.00 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL5042615 | 1.00 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL11693578 | 1.00 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL29836998 | 1.00 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL2845788 | 1.00 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL59885 | 1.00 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL6256568 | 0.89 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| SCHEMBL6256564 | 0.89 | KMT2A (0.71) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| Acrylic Acid SCHEMBL554792 | 0.87 | KMT2A (0.60) | KMT2AMEN1RAB9ANPC1HSP90AA1 | |
| Methacrylic Acid SCHEMBL554250 | 0.87 | MAPT (0.58) | KMT2AMEN1RAB9ANPC1HSP90AA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621221-B | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-10-11 | — | — | CN | claimed |
| CN-114621221-A | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-114621221-B | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-114621221-B | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-114621221-A | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114621221-A | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |