Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | HPGDS | O60760 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866605 | 0.91 | THRB (0.42) | THRBHPGDSALDH1A1KDM4ENPC1 | |
| SCHEMBL8866928 | 0.89 | THRB (0.42) | THRBHPGDSALDH1A1KDM4ENPC1 | |
| SCHEMBL8866874 | 0.89 | SUV39H2 (0.44) | THRBALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL9236354 | 0.88 | HPGDS (0.42) | HPGDSALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL8866847 | 0.86 | GPR119 (0.45) | THRBHPGDSPOLBTP53CYP3A4 | |
| SCHEMBL8865899 | 0.83 | APP (0.46) | THRBHPGDSTP53CYP3A4ALDH1A3 | |
| SCHEMBL8866736 | 0.80 | ALDH1A1 (0.41) | THRBHPGDSALDH1A1KDM4ENPC1 | |
| SCHEMBL8866447 | 0.80 | SUV39H2 (0.46) | THRBPOLBSMN1; SMN2TP53CYP1A2 | |
| SCHEMBL8866849 | 0.80 | SUV39H2 (0.44) | THRBALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL9235402 | 0.79 | HPGDS (0.42) | HPGDSALDH1A1KDM4ENPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |