Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29594708 | 0.88 | RIPK1 (0.47) | TDP1BLMKDM4EMMP2TSHR | |
| SCHEMBL28545758 | 0.88 | RIPK1 (0.47) | TDP1BLMKDM4EMMP2TSHR | |
| SCHEMBL30285138 | 0.84 | ALDH1A1 (0.54) | TDP1GAAKDM4ETSHRHSP90AA1 | |
| SCHEMBL19475174 | 0.84 | ALDH1A1 (0.54) | TDP1GAAKDM4ETSHRHSP90AA1 | |
| SCHEMBL20041412 | 0.84 | L3MBTL1 (0.44) | KMT2AGAAKDM4ECYP3A4CYP2D6 | |
| SCHEMBL8526461 | 0.83 | ALDH1A1 (0.50) | LMNAHTTALDH1A1HDAC8L3MBTL1 | |
| SCHEMBL29709996 | 0.83 | ALDH1A1 (0.50) | LMNAHTTALDH1A1HDAC8L3MBTL1 | |
| SCHEMBL29011948 | 0.82 | MMP2 (0.59) | TDP1MEN1KMT2ABLMGAA | |
| SCHEMBL11886366 | 0.81 | KDM4E (0.54) | TDP1BLMKDM4EMAPTLMNA | |
| SCHEMBL4400609 | 0.81 | ABL1 (0.47) | ABL1MAPTALDH1A1RIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2566858-A2 | HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS | Pfizer Inc. (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011138751-A2 | HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS | PFIZER INC. (US) | 2011-11-10 | — | — | WO | disclosed |