Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CTSD | P07339 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL825684 | 0.78 | CYP1A2 (0.38) | ALDH1A1TDP1CTSDTSHRHSD17B10 | |
| SCHEMBL27482733 | 0.68 | CYP26A1 (0.42) | ALDH1A1TDP1CTSDTSHRHSD17B10 | |
| SCHEMBL1272596 | 0.66 | KDM4E (0.36) | ALDH1A1MAPK1GAANPC1LMNA | |
| SCHEMBL3996745 | 0.65 | CYP19A1 (0.45) | ALDH1A1TDP1CYP19A1CYP3A4ALOX12 | |
| SCHEMBL19737269 | 0.65 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDTSHRHSD17B10 | |
| Hydrazobenzene SCHEMBL51179 | 0.65 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDTSHRHSD17B10 | |
| SCHEMBL6597192 | 0.64 | — | — | |
| SCHEMBL28065822 | 0.64 | MAP4K4 (0.42) | ALDH1A1GAANPC1LMNACYP1A2 | |
| SCHEMBL1854012 | 0.64 | TSHR (0.46) | ALDH1A1TDP1TSHRGAALMNA | |
| SCHEMBL10569077 | 0.64 | SLC6A2 (0.46) | CTSDSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1824489-B1 | STEREOISOMERICALLY ENRICHED 3-AMINOCARBONYL BICYCLOHEPTENE PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES | RIGEL PHARMACEUTICALS INC (US) | 2011-01-05 | — | — | EP | disclosed |
| CN-1454086-A | High affinity small molecule C5A receptor modulators | NEUROGEN CORP (US) | 2003-11-05 | — | — | CN | disclosed |