Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 6/20 | 0.94 |
| ▸ | P2RY6 | Q15077 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenylisothiocyanate SCHEMBL28153525 | 1.00 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL20984 | 0.97 | — | — | |
| Phenylisothiocyanate SCHEMBL27304859 | 0.94 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL29672744 | 0.94 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL29001974 | 0.94 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL25197976 | 0.94 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL2399995 | 0.94 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL28214195 | 0.94 | MIF (0.94) | MIFP2RY6CA1CA2ALDH1A1 | |
| Phenylisothiocyanate SCHEMBL27084010 | 0.92 | MIF (0.90) | MIFP2RY6CA1CA2ALDH1A1 | |
| Naphthalene SCHEMBL28447003 | 0.90 | MIF (0.85) | MIFP2RY6CA1CA2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534440-A | ISOTHIOCYANATE, IONIZABLE GROUP | BIOMEDICAL RESEARCH CENTRE LIMITED (CA) | 1996-07-09 | — | — | US | disclosed |