Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7600412 | 0.86 | KDM4E (0.72) | SMN1; SMN2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL17117307 | 0.85 | EPHX2 (0.80) | NPC1RAB9AALDH1A1KMT2AMAPT | |
| SCHEMBL4801300 | 0.84 | ALDH1A1 (0.60) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 | |
| SCHEMBL6968982 | 0.83 | CNR1 (0.76) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 | |
| SCHEMBL15308418 | 0.83 | MEN1 (0.78) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 | |
| SCHEMBL6958219 | 0.82 | SMN1; SMN2 (0.68) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 | |
| SCHEMBL15093821 | 0.82 | EPHX2 (0.86) | NPC1RAB9ATAAR1ALDH1A1KMT2A | |
| SCHEMBL8393893 | 0.81 | CNR1 (0.61) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 | |
| SCHEMBL1695076 | 0.81 | SMN1; SMN2 (0.66) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8200115 | 0.80 | SMN1; SMN2 (0.59) | NPC1SMN1; SMN2RAB9ATAAR1ALDH1A1 |
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-2015142001-A2 | COMPOUND HAVING CARDIOTONIC ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HEART FAILURE, CONTAINING SAME | 충남대학교산학협력단 | 2015-09-24 | — | — | WO | disclosed |