Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL128666 | 0.77 | ALDH1A1 (0.42) | CCR1CCR8NPC1MAPTRAB9A | |
| SCHEMBL24055061 | 0.75 | MAOB (0.58) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8345292 | 0.73 | CCR1 (0.39) | CCR1CCR8HSD17B3ELANECYP1A2 | |
| SCHEMBL30211769 | 0.71 | NPC1 (0.59) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL24055177 | 0.71 | NPC1 (0.59) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30211766 | 0.71 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL24055178 | 0.71 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL2624387 | 0.70 | CCR1 (0.37) | CCR1CCR8NPC1MAPTRAB9A | |
| SCHEMBL16782219 | 0.70 | NPC1 (0.61) | NPC1MAPTRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30023 | 0.69 | HPGD (0.60) | HSD17B3NPC1MAPTRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106810560-B | A kind of synthetic method of 8- azepine cumarin and its application in anti-tumor drug | 天津科技大学 | 2019-03-01 | — | — | CN | disclosed |
| CN-106810560-A | A kind of synthetic method of 8 azepine cumarin and its application in antineoplastic | 天津科技大学 | 2017-06-09 | — | — | CN | disclosed |