Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17985301 | 0.86 | KDM1A (0.47) | SLC6A3SLC6A4KDM1ABDKRB1ALDH1A1 | |
| SCHEMBL14491853 | 0.86 | KDM1A (0.47) | SLC6A3SLC6A4KDM1ABDKRB1ALDH1A1 | |
| SCHEMBL11706909 | 0.84 | SLC6A3 (0.44) | SLC6A3SLC6A4CCR2HTR2AHTR2C | |
| SCHEMBL11704950 | 0.84 | SLC6A3 (0.47) | SLC6A3SLC6A4CCR2HTR2AHTR2C | |
| SCHEMBL11704967 | 0.84 | SLC6A3 (0.41) | SLC6A3SLC6A4ALDH1A1SLC6A2KMT2A | |
| SCHEMBL11703497 | 0.83 | MEN1 (0.43) | SLC6A3SLC6A4ALDH1A1KMT2ANPC1 | |
| SCHEMBL626449 | 0.81 | KDM1A (0.43) | SLC6A3SLC6A4KDM1ABDKRB1ALDH1A1 | |
| SCHEMBL1018956 | 0.81 | SLC6A4 (0.46) | SLC6A3SLC6A4KDM1ABDKRB1ALDH1A1 | |
| SCHEMBL1020648 | 0.79 | SLC6A4 (0.49) | SLC6A3SLC6A4KDM1ABDKRB1ALDH1A1 | |
| SCHEMBL11703241 | 0.79 | SLC6A3 (0.40) | SLC6A3SLC6A4ALDH1A1SLC6A2KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025558-A | SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE | THE UPJOHN COMPANY (US) | 1977-05-24 | — | — | US | disclosed |
| US-4010201-A | AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE | THE UPJOHN COMPANY (US) | 1977-03-01 | — | — | US | disclosed |
| US-3932425-A | CNS DEPRESSANT, BLOOD PRESSURE LOWERING | THE UPJOHN COMPANY (US) | 1976-01-13 | — | — | US | disclosed |