Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Cycloheptanamine SCHEMBL7802529 | 1.00 | PARP10 (0.45) | PARP10PARP3EPHX1ALDH1A1LMNA | |
| Cyclohexylamine SCHEMBL7800175 | 0.91 | PARP10 (0.44) | PARP10PARP3EPHX1ALDH1A1MAPT | |
| Cyclohexylamine SCHEMBL7802609 | 0.87 | MAOB (0.46) | TTRAKR1B1KCNH2TLR4TLR2 | |
| Cycloheptanamine SCHEMBL7801354 | 0.87 | MAOB (0.46) | TTRAKR1B1KCNH2TLR4TLR2 | |
| Cyclohexylamine SCHEMBL8041275 | 0.85 | LTA4H (0.40) | PARP10PARP3EPHX1ALDH1A1MAPT | |
| Cyclohexylamine SCHEMBL8041272 | 0.85 | LTA4H (0.40) | PARP10PARP3EPHX1ALDH1A1MAPT | |
| Cycloheptanamine SCHEMBL7792128 | 0.85 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM1AKDM4EMAPT | |
| Benzaldehyde SCHEMBL8035182 | 0.85 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM1AKDM4EMAPT | |
| Cyclohexylamine SCHEMBL7798264 | 0.82 | ALDH1A1 (0.43) | ALDH1A1LMNASMN1; SMN2KDM1AKDM4E | |
| SCHEMBL97639 | 0.81 | ALDH1A1 (0.59) | PARP10PARP3ALDH1A1LMNASMN1; SMN2 |
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 |