Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.40 |
| ▸ | DRD5 | P21918 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7333057 | 0.83 | CYP2A6 (0.46) | ALDH1A1HPGDKDM4ECYP2A6DRD2 | |
| SCHEMBL11523892 | 0.77 | CES1 (0.53) | ALDH1A1HPGDKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL3396949 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EL3MBTL1LMNA | |
| SCHEMBL29573534 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EL3MBTL1LMNA | |
| SCHEMBL31359858 | 0.77 | BCL2L1 (0.52) | ALDH1A1HPGDKDM4EL3MBTL1LMNA | |
| SCHEMBL4570298 | 0.77 | BCL2L1 (0.52) | ALDH1A1HPGDKDM4EL3MBTL1LMNA | |
| Fluorene SCHEMBL28131122 | 0.76 | RAB9A (0.58) | ALDH1A1KDM4EDRD2DRD3DRD4 | |
| SCHEMBL31493172 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EL3MBTL1LMNA | |
| SCHEMBL3491774 | 0.74 | NPC1 (0.59) | ALDH1A1HPGDKDM4EDRD2DRD3 | |
| SCHEMBL22215007 | 0.73 | MAOA (0.50) | ALDH1A1HPGDKDM4EDRD2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4136116-A | ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-3952017-A | 5-HYDROXY-5-(METHYL OR ALKYLMETHYL-AMINOPROPYL)- 5H-DIBENZO(A,D)CYCLOHEPTENES, ANTIDEPRESSANT | HOFFMANN-LA ROCHE INC. (US) | 1976-04-20 | — | — | US | disclosed |