Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | IDH1 | O75874 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | SNCA | P37840 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7068604 | 0.78 | CYP2A6 (0.62) | CYP2A6MAPTCA1CA2SMN1; SMN2 | |
| SCHEMBL154439 | 0.75 | MAPT (0.64) | CYP2A6MAPTCA1CA2SMN1; SMN2 | |
| SCHEMBL2516282 | 0.72 | IDH1 (0.55) | MAPTIDH1CA1CA2CA4 | |
| SCHEMBL28651474 | 0.72 | MAPT (0.64) | MAPTIDH1CA1CA2CA4 | |
| SCHEMBL20932892 | 0.72 | LTA4H (0.51) | CYP2A6MAPTSMN1; SMN2TP53RXFP1 | |
| SCHEMBL2248829 | 0.72 | CYP2A6 (1.00) | CYP2A6MAPTCA1CA2SMN1; SMN2 | |
| SCHEMBL25013443 | 0.71 | ATM (0.44) | CYP2A6MAPTCA1CA2SMN1; SMN2 | |
| SCHEMBL14925170 | 0.70 | CYP2A6 (0.56) | CYP2A6MAPTCA1CA2SMN1; SMN2 | |
| SCHEMBL2492280 | 0.70 | MEN1 (0.65) | CYP2A6MAPTIDH1CA1CA2 | |
| SCHEMBL108093 | 0.69 | CA1 (1.00) | MAPTIDH1CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-9176116-A | — | — | None | — | — | JP | disclosed |
| JP-H09176116-A | HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL USE | TORAY IND INC | 1997-07-08 | — | — | JP | disclosed |