Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27563723 | 1.00 | NOTUM (0.77) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL28116352 | 1.00 | NOTUM (0.77) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL126611 | 1.00 | NOTUM (0.77) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL3344340 | 0.97 | NOTUM (0.72) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Pyridine SCHEMBL27914352 | 0.97 | NOTUM (0.72) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL15052303 | 0.97 | NOTUM (0.72) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL19412135 | 0.97 | NOTUM (0.72) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Pyridine SCHEMBL10928167 | 0.94 | NOTUM (0.88) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL28363897 | 0.94 | NOTUM (0.68) | NOTUMALDH1A1TSHRTDP1NAPRT | |
| Biphenyl SCHEMBL27971588 | 0.94 | NOTUM (0.68) | NOTUMALDH1A1TSHRTDP1NAPRT |
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-117362295-A | Cationic molecular cage and preparation method and application thereof | 中山大学 | 2024-01-09 | — | — | CN | claimed |
| CN-117362295-A | Cationic molecular cage and preparation method and application thereof | 中山大学 | 2024-01-09 | — | — | CN | disclosed |