Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.52 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.43 |
| ▸ | ADH1B | P00325 | 1/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | ADH1A | P07327 | 1/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 1/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8473674 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL8470770 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL27414590 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL10964171 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL9244555 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL29090473 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL25634930 | 1.00 | TSHR (0.59) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| Fluoride SCHEMBL17359722 | 0.98 | TSHR (0.56) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL3784120 | 0.98 | TSHR (0.62) | TSHRALDH1A1PAOXS1PR2S1PR4 | |
| SCHEMBL28426636 | 0.91 | ALDH1A1 (0.54) | TSHRALDH1A1PAOXS1PR2S1PR4 |
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-5900213-A | Use of diamines to disinfect and clean contact lenses and preserve ophthalmic compositions | ALCON LABORATORIES, INC. (US) | 1999-05-04 | — | — | US | disclosed |
| WO-1994025426-A1 | DIAMINES AS ANTIMICROBIAL AGENTS AND USE THEREOF IN OPHTHALMIC COMPOSITION | ALCON LABORATORIES, INC. (US) | 1994-11-10 | — | — | WO | disclosed |