Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623038 | 0.90 | GAA (0.38) | ALDH1A1SMN1; SMN2PKMGAACA1 | |
| SCHEMBL7716088 | 0.85 | GAA (0.43) | ALDH1A1SMN1; SMN2GAACA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL9849403 | 0.83 | KCNH2 (0.43) | ACHE | |
| SCHEMBL10356793 | 0.82 | — | — | |
| SCHEMBL9362893 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2PKMKDM4EHPGD | |
| SCHEMBL10391373 | 0.79 | SMN1; SMN2 (0.35) | ALDH1A1SMN1; SMN2PKMKDM4EHPGD | |
| SCHEMBL6176364 | 0.78 | HTR1A (0.35) | ALDH1A1SMN1; SMN2PKMKDM4EHPGD | |
| SCHEMBL8643442 | 0.77 | PSMD14 (0.36) | ALDH1A1SMN1; SMN2KDM4EHPGDPSMD14 | |
| SCHEMBL9622676 | 0.76 | HTT (0.44) | ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL7107307 | 0.74 | LMNA (0.45) | ALDH1A1SMN1; SMN2KDM4EHPGDGAA |
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-4163850-A | BACTERICIDES FOR WATER TREATMENT | PETROLITE CORPORATION (US) | 1979-08-07 | — | — | US | disclosed |
| US-4101654-A | BACTERIAL GROWTH INHIBITION | PETROLITE CORPORATION (US) | 1978-07-18 | — | — | US | disclosed |