Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11265050 | 0.80 | TDP1 (0.42) | TSHRTP53GAAMEN1KMT2A | |
| SCHEMBL9629178 | 0.80 | AHR (0.40) | TSHRTP53KMT2ACYP3A4ALDH1A1 | |
| SCHEMBL6516130 | 0.75 | — | — | |
| SCHEMBL17231836 | 0.75 | ALDH1A1 (0.48) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL9225327 | 0.75 | HSD17B10 (0.36) | TP53CA12CA1CA2CA7 | |
| SCHEMBL9808922 | 0.75 | TSHR (0.42) | TSHRTP53CA12CA1CA2 | |
| SCHEMBL6512712 | 0.73 | — | — | |
| SCHEMBL6511552 | 0.73 | NPC1 (0.44) | MEN1KMT2AMAPTNPSR1NPC1 | |
| SCHEMBL6516081 | 0.73 | — | — | |
| SCHEMBL6516090 | 0.73 | — | — |
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-6774263-B1 | N-(2-CHLORO-5-METHYLTHIOPHENYL)-N'-(3-METHYLSULFINYLPHENYL)-N' -METHYLGUANIDINE; NEURODEGENERATIVE DISORDER TREATMENT | CAMBRIDGE NEUROSCIENCE, INC. | 2004-08-10 | — | — | US | disclosed |