Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | CYP2A7 | P20853 | 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 | |
|---|---|---|---|---|
| SCHEMBL3140450 | 0.80 | SMN1; SMN2 (0.42) | KMT2AKDM1A | |
| SCHEMBL27449302 | 0.77 | KMO (0.44) | HDAC6KMT2APTPN5AKR1C3AKR1C2 | |
| SCHEMBL27693954 | 0.76 | CYP2C19 (0.48) | KMT2ACYP2C19CYP1A2CYP1A1CYP2E1 | |
| SCHEMBL27636619 | 0.76 | KMT2A (0.42) | KMT2ACYP2C19CYP1A2CYP1A1CYP2E1 | |
| SCHEMBL15526938 | 0.74 | TAAR1 (0.42) | KMT2ACYP2C19CYP1A2CYP1A1CYP2E1 | |
| Acetic Acid Methyl Ester SCHEMBL5167069 | 0.72 | ALDH1A1 (0.50) | KMT2ACYP2C19CYP1A2CYP1A1CYP2E1 | |
| SCHEMBL23972641 | 0.69 | CES2 (0.52) | KMT2ACYP2C19CYP1A2PTPN5AKR1C3 | |
| SCHEMBL5791303 | 0.68 | AKR1C3 (0.55) | CYP2C19CYP1A2PTPN5AKR1C3AKR1C2 | |
| SCHEMBL6270908 | 0.68 | HDAC4 (0.51) | PTPN5AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL5039701 | 0.68 | PTGS1 (0.66) | KMT2ACYP3A4PTGS1PTGS2 |
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-100420687-C | Pyrido [2, 3-D ] pyrimidine derivatives as selective KDR and FGFR inhibitors | HOFFMANN LA ROCHE (CH) | 2008-09-24 | — | — | CN | disclosed |
| CN-1729189-A | Pyrido [2, 3-D ] pyrimidine derivatives as selective KDR and FGFR inhibitors | HOFFMANN LA ROCHE (CH) | 2006-02-01 | — | — | CN | disclosed |