Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PYGL | P06737 | 6/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15259538 | 0.81 | PHGDH (0.40) | PHGDHALDH1A1FAAHMGLLCYP1A2 | |
| SCHEMBL2497168 | 0.80 | ALOX5 (0.41) | PYGL | |
| SCHEMBL28647785 | 0.78 | ALDH1A1 (0.46) | PHGDHALDH1A1FAAHMGLL | |
| SCHEMBL6074931 | 0.78 | SIGMAR1 (0.41) | PHGDHALDH1A1FAAHMGLLCYP1A2 | |
| SCHEMBL27661955 | 0.76 | MEN1 (0.37) | ALDH1A1 | |
| SCHEMBL1062922 | 0.73 | AGER (0.39) | PYGL | |
| SCHEMBL4929257 | 0.73 | ALDH1A1 (0.45) | PHGDHALDH1A1FAAHMGLLCYP1A2 | |
| SCHEMBL11015332 | 0.73 | ADORA2A (0.38) | PYGL | |
| SCHEMBL1305047 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2GAAPYGLSMN1; SMN2 | |
| SCHEMBL9812911 | 0.72 | PIK3CD (0.40) | ALDH1A1PYGLNPC1LMNARAB9A |
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-1381593-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002068384-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2002-09-06 | — | — | WO | disclosed |