Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | RHOC | P08134 | 1/20 | 0.37 |
| ▸ | RHOA | P61586 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL7798106 | 0.91 | SRD5A2 (0.41) | SRD5A2ALDH1A1RXRARXRBRXRG | |
| 4-Methylbenzoic Acid SCHEMBL7792063 | 0.90 | RXRA (0.42) | SCN5ASCN2ASRD5A2ALDH1A1RXRA | |
| Benzoic Acid SCHEMBL7798267 | 0.90 | TAAR1 (0.40) | SRD5A2ALDH1A1RXRARXRBRXRG | |
| SCHEMBL7798427 | 0.90 | SRD5A2 (0.40) | SRD5A2ALDH1A1RXRARXRBRXRG | |
| SCHEMBL7802656 | 0.89 | RXRA (0.47) | SRD5A2ALDH1A1RXRARXRBRXRG | |
| 4-Methylbenzoic Acid SCHEMBL8025639 | 0.88 | TAAR1 (0.42) | SRD5A2ALDH1A1RXRARXRBRXRG | |
| 4-Methylbenzoic Acid SCHEMBL8035699 | 0.86 | MAOB (0.43) | SRD5A2RXRARXRBRXRGKMT2A | |
| 4-Methylbenzoic Acid SCHEMBL7802556 | 0.86 | SRD5A2 (0.46) | SRD5A2MEN1KMT2A | |
| SCHEMBL7801541 | 0.85 | TAAR1 (0.51) | TAAR1RHOCRHOAPOLBGAA | |
| 4-Methylbenzoic Acid SCHEMBL7798453 | 0.84 | KDM4E (0.46) | ALDH1A1RAB9ANPC1L3MBTL1TAAR1 |
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 |