Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CCR1 | P32246 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | METAP1 | P53582 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 2-Mercaptopyridine SCHEMBL2058513 | 1.00 | — | — | |
| 2-Mercaptopyridine SCHEMBL29429262 | 1.00 | — | — | |
| 2-Mercaptopyridine SCHEMBL11748206 | 1.00 | KDM4E (0.48) | KDM4ELMNACCR1CCR5CCR8 | |
| 2-Mercaptopyridine SCHEMBL27547713 | 0.97 | — | — | |
| 2-Mercaptopyridine SCHEMBL54576 | 0.97 | — | — | |
| 2-Mercaptopyridine SCHEMBL2252799 | 0.94 | — | — | |
| 2-Mercaptopyridine SCHEMBL11731530 | 0.94 | KDM4E (0.48) | KDM4ELMNACCR1CCR5CCR8 | |
| 2-Mercaptopyridine SCHEMBL42004 | 0.94 | — | — | |
| 2-Mercaptopyridine SCHEMBL8219026 | 0.94 | — | — | |
| 2-Mercaptopyridine SCHEMBL19946501 | 0.94 | KDM4E (0.48) | KDM4ELMNACCR1CCR5CCR8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0820225-A2 | FAST ACTING AND PERSISTENT TOPICAL ANTISEPTIC | Guthery, B., Eugene (US) | 1998-01-28 | — | — | EP | disclosed |