Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | MMP8 | P22894 | 2/20 | 0.47 |
| ▸ | MMP13 | P45452 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3279317 | 0.83 | ALDH1A1 (0.55) | NPC1RAB9AKMT2AHPGDALDH1A1 | |
| SCHEMBL6836176 | 0.82 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AKMT2APTPN1 | |
| SCHEMBL27269436 | 0.81 | MAPT (0.51) | SMN1; SMN2NPC1RAB9AKMT2AFBP1 | |
| Anisaldehyde SCHEMBL27896266 | 0.80 | ALDH1A1 (0.63) | SMN1; SMN2NPC1RAB9AKMT2ACYP19A1 | |
| SCHEMBL9477380 | 0.78 | ALDH1A1 (0.49) | SMN1; SMN2NPC1RAB9AKMT2AHPGD | |
| SCHEMBL6542046 | 0.78 | MAOB (0.70) | SMN1; SMN2NPC1RAB9AKMT2APTPN1 | |
| SCHEMBL3825495 | 0.78 | PTPN1 (0.67) | SMN1; SMN2NPC1RAB9AKMT2APTPN1 | |
| SCHEMBL2250015 | 0.75 | TRPA1 (0.47) | ALDH1A1TSHRNFE2L2MAPTLMNA | |
| SCHEMBL7053965 | 0.75 | ALDH1A1 (0.53) | SMN1; SMN2NPC1RAB9AKMT2AHPGD | |
| SCHEMBL5456580 | 0.74 | ALDH1A1 (0.58) | SMN1; SMN2NPC1RAB9AKMT2APTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0057870-A1 | N-optionelly substituted-2-amino-alpha-phenylphenethylamines and a method for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-08-18 | — | — | EP | disclosed |