Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2489128 | 1.00 | ITK (0.57) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL28221040 | 0.85 | RAB9A (0.53) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL28399450 | 0.83 | RAB9A (0.61) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL4778165 | 0.81 | GSK3B (0.50) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL308319 | 0.81 | GSK3B (0.61) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL29470995 | 0.81 | GSK3B (0.61) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL29631691 | 0.80 | RAB9A (0.74) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL374022 | 0.80 | RAB9A (0.74) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL5179280 | 0.80 | ITK (0.61) | ITKRAB9ANPC1GSK3BCYP19A1 | |
| SCHEMBL4780727 | 0.79 | RIPK1 (0.59) | ITKRAB9ANPC1GSK3BCYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974845-B | Preparation method of Ornitinib intermediate | 奥锐特药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-115974845-A | Preparation method of oxitinib intermediate | 奥锐特药业股份有限公司 | 2023-04-18 | — | — | CN | disclosed |