Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Mannitol SCHEMBL28918397 | 0.87 | TSHR (0.62) | TSHRHPGDALDH1A1CYP3A4 | |
| Demannose SCHEMBL28051236 | 0.83 | TSHR (0.45) | TSHRHPGDALDH1A1CYP3A4 | |
| SCHEMBL126607 | 0.81 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL15542854 | 0.81 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL30162492 | 0.81 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL15978514 | 0.81 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL15542858 | 0.81 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL126605 | 0.81 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL16180095 | 0.80 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4FAAH | |
| SCHEMBL16180094 | 0.80 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-6884842-B2 | Molecular compounds having complementary surfaces to targets | ALNIS BIOSCIENCES, INC. (US) | 2005-04-26 | — | — | US | disclosed |
| US-20030153001-A1 | Molecular compounds having complementary surfaces to targets | ALNIS, LLC | 2003-08-14 | — | — | US | disclosed |
| EP-1025066-A2 | MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS | Alnis, LLC (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999019276-A2 | MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS | ALNIS, LLC (US) | 1999-04-22 | — | — | WO | disclosed |