Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | FPR2 | P25090 | 1/20 | 0.51 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.49 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.49 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.49 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1171563 | 0.81 | SMN1; SMN2 (0.70) | HTTSMN1; SMN2RAB9AALDH1A1ALOX12 | |
| SCHEMBL10082147 | 0.77 | CNR1 (0.50) | TDP1RAB9ACNR1NPC1FPR2 | |
| SCHEMBL5050746 | 0.77 | SMN1; SMN2 (0.68) | HTTSMN1; SMN2RAB9AALDH1A1NPC1 | |
| SCHEMBL3816499 | 0.77 | SMN1; SMN2 (0.68) | HTTSMN1; SMN2RAB9AALDH1A1ALOX12 | |
| SCHEMBL10985519 | 0.77 | SMN1; SMN2 (0.83) | HTTSMN1; SMN2RAB9AALDH1A1ALOX12 | |
| SCHEMBL10068168 | 0.76 | FPR2 (0.49) | SMN1; SMN2TDP1RAB9ACNR1NPC1 | |
| SCHEMBL4898196 | 0.76 | KMT2A (0.81) | SMN1; SMN2RAB9AALDH1A1CNR1NPC1 | |
| SCHEMBL13715508 | 0.76 | SMN1; SMN2 (0.71) | HTTSMN1; SMN2RAB9AALDH1A1ALOX12 | |
| SCHEMBL17186221 | 0.75 | SMN1; SMN2 (0.61) | HTTSMN1; SMN2RAB9AALDH1A1CNR1 | |
| SCHEMBL6906687 | 0.74 | ROCK2 (0.60) | SMN1; SMN2RAB9AALDH1A1ALOX12CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116528858-A | Multi-heterocycle small molecule drug conjugate and application thereof | 台湾卫生研究院 | 2023-08-01 | — | — | CN | disclosed |