Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.49 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14694013 | 0.86 | ALDH1A1 (0.58) | ALDH1A1LMNAKMT2ATSHRMAPK1 | |
| SCHEMBL4940443 | 0.83 | KMT2A (0.59) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL13655355 | 0.83 | ALDH1A1 (0.53) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL2835194 | 0.81 | ALDH1A1 (0.49) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL474091 | 0.81 | ALDH1A1 (0.53) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL13762851 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL9602707 | 0.79 | ALDH1A1 (0.51) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL8762587 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL474196 | 0.79 | KMT2A (0.56) | ALDH1A1LMNAACHEKMT2ASLC22A2 | |
| SCHEMBL14793401 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAACHEKMT2ASLC22A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2352732-B1 | 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2013-02-20 | — | — | EP | claimed |