Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | UNG | P13051 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 SCHEMBL7801490 | 0.93 | ALDH1A1 (0.54) | ALDH1A1SRD5A2STSRAB9ANPSR1 | |
| Terephthalic Acid SCHEMBL27612294 | 0.88 | SRD5A2 (0.56) | ALDH1A1SRD5A2NPSR1KMT2ATP53 | |
| Cyclohexylamine SCHEMBL8037421 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SRD5A2STSRAB9ANPSR1 | |
| Cyclohexylamine SCHEMBL8037416 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SRD5A2STSRAB9ANPSR1 | |
| Lysine SCHEMBL8025620 | 0.82 | GSR (0.44) | ALDH1A1SRD5A2STSRAB9ANPSR1 | |
| Lysine SCHEMBL8025623 | 0.82 | GSR (0.44) | ALDH1A1SRD5A2STSRAB9ANPSR1 | |
| 3-Formylbenzoic Acid SCHEMBL7798025 | 0.81 | UNG (0.68) | ALDH1A1STSKMT2ATRIM24TRIM33 | |
| 4-Hydroxybenzaldehyde SCHEMBL7798433 | 0.81 | ALDH5A1 (0.59) | ALDH1A1STSRAB9AKMT2AMAPT | |
| Aminobenzoic Acid SCHEMBL4736956 | 0.81 | SRD5A2 (0.50) | SRD5A2RAB9ANPSR1KMT2ATP53 | |
| Benzoic Acid SCHEMBL597061 | 0.80 | TSHR (0.56) | SRD5A2RAB9AKMT2ATP53TSHR |
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 |