Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17918849 | 0.90 | MET (0.43) | NPC1MAPTLMNAHTTMEN1 | |
| SCHEMBL17918706 | 0.86 | MAPT (0.44) | RAB9ANPC1MAPTLMNAHTT | |
| SCHEMBL17918718 | 0.85 | CFTR (0.42) | NPC1MAPTLMNAHTTMEN1 | |
| SCHEMBL17918788 | 0.85 | RAB9A (0.46) | NTRK1RAB9ANPC1MAPTLMNA | |
| SCHEMBL16615212 | 0.84 | MET (0.45) | RAB9ANPC1MAPTMEN1KMT2A | |
| SCHEMBL17918716 | 0.82 | ALK (0.46) | MAPTLMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL18106085 | 0.82 | MET (0.54) | NTRK1MEN1KMT2ACFTR | |
| SCHEMBL16615218 | 0.81 | SETD2 (0.37) | NTRK1MAPTALDH1A1 | |
| SCHEMBL17918705 | 0.81 | NTRK1 (0.54) | NTRK1RAB9ANPC1MAPTLMNA | |
| SCHEMBL17969779 | 0.81 | NTRK1 (0.50) | NTRK1RAB9ANPC1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |