Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL9133712 | 1.00 | TSHR (0.41) | TSHRKDM4EMEN1RECQLKMT2A | |
| Tributylmethylammonium SCHEMBL9133707 | 0.95 | TSHR (0.38) | TSHRKDM4EMEN1RECQLKMT2A | |
| Tetrabuthylammonium SCHEMBL9134628 | 0.90 | TSHR (0.42) | TSHRKDM4EMEN1RECQLKMT2A | |
| Tetrabuthylammonium SCHEMBL9130777 | 0.90 | TSHR (0.42) | TSHRKDM4EMEN1RECQLKMT2A | |
| Tributylmethylammonium SCHEMBL9132001 | 0.89 | TSHR (0.36) | TSHRKDM4EMEN1RECQLKMT2A | |
| Tetrapentylammonium SCHEMBL9460464 | 0.87 | TSHR (0.42) | TSHRKDM4EMEN1RECQLKMT2A | |
| Tetrapentylammonium SCHEMBL9460394 | 0.87 | TSHR (0.42) | TSHRKDM4EMEN1RECQLKMT2A | |
| Cetrimonium SCHEMBL9131709 | 0.86 | ALDH1A1 (0.41) | TSHRKDM4EMEN1RECQLKMT2A | |
| Cetrimonium SCHEMBL9135053 | 0.86 | ALDH1A1 (0.41) | TSHRKDM4EMEN1RECQLKMT2A | |
| SCHEMBL9460640 | 0.86 | ALDH1A1 (0.43) | TSHRKDM4EMEN1RECQLKMT2A |
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-5378571-A | Toners for electrography | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |
| US-5274184-A | Aryl sulphide, aryl sulphoxide and aryl sulphone compounds | CASSELLA AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |