Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL10990240 | 0.94 | TSHR (0.37) | TSHRLMNAIDO1CYP1A2CYP2D6 | |
| SCHEMBL2478901 | 0.84 | ALDH1A1 (0.40) | TSHRLMNAIDO1CYP1A2CYP2D6 | |
| SCHEMBL29566515 | 0.81 | TAAR1 (0.46) | TSHRLMNAIDO1CYP1A2CYP2D6 | |
| SCHEMBL166137 | 0.81 | TAAR1 (0.46) | TSHRLMNAIDO1CYP1A2CYP2D6 | |
| SCHEMBL7535391 | 0.80 | IDO1 (0.48) | TSHRLMNAIDO1CYP1A2CYP2D6 | |
| SCHEMBL7654309 | 0.79 | ATP4A (0.36) | LMNAALDH1A1MAPTRAB9ASMN1; SMN2 | |
| Phenylacetaldehyde SCHEMBL452558 | 0.78 | LMNA (0.44) | TSHRLMNAHTTSMN1; SMN2TAAR1 | |
| SCHEMBL3905460 | 0.78 | LMNA (0.40) | TSHRLMNAALDH1A1HTTSMN1; SMN2 | |
| Phenylacetaldehyde SCHEMBL1412189 | 0.76 | LMNA (0.41) | TSHRLMNAHTTSMN1; SMN2TAAR1 | |
| SCHEMBL4918898 | 0.75 | LMNA (0.55) | TSHRLMNAMAPTL3MBTL1GABRA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365616-B1 | TRANSPLANT REJECTION | SENTRON MEDICAL, INC. | 2002-04-02 | — | — | US | disclosed |
| EP-1112072-A2 | METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES | Sentron Medical, Inc. (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000012175-A2 | METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES | SENTRON MEDICAL, INC. (US) | 2000-03-09 | — | — | WO | disclosed |