Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | NPFFR1 | Q9GZQ6 | 3/20 | 0.54 |
| ▸ | NPFFR2 | Q9Y5X5 | 3/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | MMP1 | P03956 | 2/20 | 0.54 |
| ▸ | MMP9 | P14780 | 2/20 | 0.54 |
| ▸ | MMP13 | P45452 | 2/20 | 0.54 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11568366 | 0.91 | CYP2D6 (0.58) | ALDH1A1CYP2D6TSHRSIGMAR1NPFFR1 | |
| SCHEMBL11559495 | 0.90 | CYP2D6 (0.57) | ALDH1A1CYP2D6TSHRSIGMAR1NPFFR1 | |
| SCHEMBL11564966 | 0.88 | NPFFR1 (0.64) | ALDH1A1CYP2D6TSHRSIGMAR1NPFFR1 | |
| SCHEMBL13422580 | 0.88 | FAAH (0.61) | ALDH1A1CYP2D6SIGMAR1NPFFR1NPFFR2 | |
| SCHEMBL2996293 | 0.88 | CYP2D6 (0.68) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL3939085 | 0.87 | CYP2D6 (0.65) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL654357 | 0.86 | ALDH1A1 (0.62) | ALDH1A1CYP2D6TSHRSIGMAR1NPFFR1 | |
| SCHEMBL16876712 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CYP2D6TSHRNPFFR1NPFFR2 | |
| SCHEMBL5556286 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP2D6TSHRSIGMAR1NPFFR1 | |
| SCHEMBL16876726 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP2D6TSHRSIGMAR1NPFFR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5610142-A | Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids | SCIOS INC. (US) | 1997-03-11 | — | — | US | disclosed |