Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 5/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7798074 | 0.90 | TSHR (0.46) | MCOLN3TSHRKMT2AGRIN2DGRIN3B | |
| Cyclopropane SCHEMBL29130088 | 0.87 | FBP1 (0.51) | MCOLN3TSHRFBP1GRIN2DGRIN3B | |
| Cyclohexylamine SCHEMBL8037499 | 0.86 | TSHR (0.42) | MCOLN3TSHRKMT2AGRIN2DGRIN3B | |
| Cyclohexylamine SCHEMBL8037502 | 0.86 | TSHR (0.42) | MCOLN3TSHRKMT2AGRIN2DGRIN3B | |
| SCHEMBL29463498 | 0.82 | FBP1 (0.56) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL67236 | 0.82 | FBP1 (0.56) | FBP1GRIN2DGRIN3BGRIN1GRIN2A | |
| Lysine SCHEMBL8025651 | 0.82 | GRM4 (0.41) | TSHRKMT2AEPHX1 | |
| Lysine SCHEMBL8025646 | 0.82 | GRM4 (0.41) | TSHRKMT2AEPHX1 | |
| Cyclohexylamine SCHEMBL7798159 | 0.81 | MAOB (0.44) | FBP1EPHX1MAOAMAOB | |
| 3-Hydroxybenzaldehyde SCHEMBL7798283 | 0.77 | CCNB2 (0.45) | FBP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |