Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8198468 | 0.89 | TDP1 (0.59) | TDP1L3MBTL1CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL27486131 | 0.80 | CYP2A6 (0.58) | TDP1L3MBTL1CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL8726941 | 0.79 | LTA4H (0.52) | CHRNB2CHRNA4CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL7380489 | 0.77 | CYP1A2 (0.48) | TDP1L3MBTL1CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL6133002 | 0.77 | NAPRT (0.48) | TDP1L3MBTL1CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL27496388 | 0.77 | CHRNA7 (0.57) | TDP1L3MBTL1CHRNB2CHRNA4CYP1A2 | |
| SCHEMBL3984962 | 0.76 | CYP3A4 (0.43) | L3MBTL1CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL1515345 | 0.76 | — | — | |
| SCHEMBL135230 | 0.76 | MAOB (0.50) | ALDH1A1 | |
| SCHEMBL19593180 | 0.76 | CHRNB2 (0.50) | TDP1L3MBTL1CHRNB2CHRNA4CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1110486-C | Substituted 2-amino-4-alkylamino-1, 3, 5-triazines as herbicides | BAYER AG (DE) | 2003-06-04 | — | — | CN | disclosed |
| US-6043227-A | C11 carbamates of macrolide antibacterials | PFIZER INC. (US) | 2000-03-28 | — | — | US | disclosed |
| CN-1239956-A | Substituted 2-amino-4-alkylamino-1,3,5-triazines as herbicides | BAYER AG (DE) | 1999-12-29 | — | — | CN | disclosed |
| US-5698554-A | PREVENTING AND TREATING NEPHRITIS, ENDOTOXIC SHOCK | TANABE SEIYAKU CO., LTD. (JP) | 1997-12-16 | — | — | US | disclosed |