Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.64 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2794365 | 0.90 | TNFRSF1A (0.53) | TNFRSF1ACES2CES1MAPTCYP1A1 | |
| SCHEMBL7448677 | 0.90 | TNFRSF1A (0.53) | TNFRSF1AMAPTCYP1B1CYP2C19CYP1A2 | |
| SCHEMBL8484185 | 0.86 | LTA4H (0.58) | TNFRSF1ACES2CES1MAPTCYP1A1 | |
| SCHEMBL6707524 | 0.86 | LTA4H (0.58) | TNFRSF1AMAPTCYP1A1CYP1B1CYP1A2 | |
| SCHEMBL7196521 | 0.78 | TNFRSF1A (1.00) | TNFRSF1AMAPTCYP1A1CYP1B1CYP2C19 | |
| SCHEMBL5593308 | 0.78 | TNFRSF1A (1.00) | TNFRSF1AMAPTCYP1A1CYP1B1CYP2C19 | |
| SCHEMBL6989990 | 0.78 | TNFRSF1A (0.72) | TNFRSF1ACES2CES1MAPTCYP1A1 | |
| SCHEMBL6989989 | 0.78 | TNFRSF1A (0.72) | TNFRSF1ACES2CES1MAPTCYP1A1 | |
| SCHEMBL4214525 | 0.76 | TNFRSF1A (0.57) | TNFRSF1ACES2CES1MAPTCYP1A1 | |
| SCHEMBL360314 | 0.76 | MAPK1 (0.58) | TNFRSF1ACES2CES1MAPTCYP1A1 |
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-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |