Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL7792134 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP2A6LTA4HRAB9AKDM4E | |
| SCHEMBL7792799 | 0.90 | MAOB (0.52) | ALDH1A1CYP2A6LTA4HRAB9AKDM4E | |
| SCHEMBL7798169 | 0.90 | NPC1 (0.63) | ALDH1A1CYP2A6LTA4HRAB9AKDM4E | |
| SCHEMBL7792654 | 0.89 | TAAR1 (0.58) | ALDH1A1CYP2A6LTA4HRAB9AKDM4E | |
| Anisaldehyde SCHEMBL6814373 | 0.82 | ALDH1A1 (0.83) | ALDH1A1CYP2A6LTA4HRAB9ANPC1 | |
| SCHEMBL7792570 | 0.81 | NPC1 (0.59) | ALDH1A1LTA4HRAB9AKDM4EHTT | |
| SCHEMBL7792557 | 0.81 | MAOB (0.52) | ALDH1A1RAB9AKDM4EHTTSMN1; SMN2 | |
| SCHEMBL920324 | 0.80 | ST14 (0.68) | ALDH1A1LTA4HKDM4EHTTSMN1; SMN2 | |
| SCHEMBL527049 | 0.80 | ALDH1A1 (0.86) | ALDH1A1CYP2A6LTA4HKDM4ESMN1; SMN2 | |
| Benzaldehyde SCHEMBL7798573 | 0.79 | TAAR1 (0.66) | ALDH1A1CYP2A6LTA4HRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |