Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 10/20 | 0.44 |
| ▸ | IGF1R | P08069 | 7/20 | 0.44 |
| ▸ | ROS1 | P08922 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6167568 | 0.91 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1PKMRAB9A | |
| SCHEMBL13800060 | 0.86 | TP53 (0.48) | ALKIGF1RROS1ACHEBACE1 | |
| SCHEMBL6207985 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2LMNAHPGDKCNH2 | |
| Fumaric Acid SCHEMBL4118677 | 0.82 | ACHE (0.45) | NPC1RAB9AALKIGF1RACHE | |
| Maleic Acid SCHEMBL4118674 | 0.82 | ACHE (0.45) | NPC1RAB9AALKIGF1RACHE | |
| SCHEMBL4117314 | 0.81 | KCNH2 (0.39) | ALDH1A1NPC1KCNH2 | |
| SCHEMBL4122440 | 0.78 | TGFBR1 (0.43) | KCNH2 | |
| Fumaric Acid SCHEMBL6328236 | 0.77 | THRB (0.44) | ALDH1A1ALKIGF1RLMNAACHE | |
| SCHEMBL5202347 | 0.76 | GAA (0.47) | SMN1; SMN2 | |
| SCHEMBL4127097 | 0.76 | LMNA (0.40) | ALDH1A1LMNAKCNH2 |
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-1494670-A1 | MEDICINE FOR TREATING CANCER | Kowa Co., Ltd. (JP) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003086397-A1 | MEDICINE FOR TREATING CANCER | KOWA CO., LTD. (JP) | 2003-10-23 | — | — | WO | disclosed |