Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DBH | P09172 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3302008 | 0.91 | PNMT (0.68) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL4465598 | 0.88 | CYP3A4 (0.43) | PNMTTAAR1IDO1HSP90AA1TSHR | |
| SCHEMBL6337201 | 0.84 | PNMT (0.60) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL11828147 | 0.79 | PNMT (0.60) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL26849008 | 0.78 | PNMT (0.54) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL16933811 | 0.77 | PNMT (0.52) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL27396074 | 0.77 | PNMT (0.57) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL2861971 | 0.76 | CTRC (0.47) | ALDH1A1MEN1KMT2ACYP3A4P2RX7 | |
| SCHEMBL3301733 | 0.76 | PNMT (0.56) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL10965769 | 0.75 | CYP1A2 (0.54) | PNMTTAAR1IDO1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4141912-A | Process for the preparation of polyhalobenzylic disulfooxonium compounds | HOOKER CHEMICALS & PLASTICS CORP. (US) | 1979-02-27 | — | — | US | disclosed |
| US-4075238-A | Polyhalobenzylic disulfooxonium compounds | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |