Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CLPP | Q16740 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 6/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8906064 | 0.91 | ALDH1A1 (0.48) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8906919 | 0.89 | PTGS2 (0.55) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8904736 | 0.88 | ABCB11 (0.56) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8904945 | 0.87 | ABCB11 (0.50) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8905044 | 0.85 | ABCB11 (0.53) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8904826 | 0.84 | ABCB11 (0.50) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8907195 | 0.84 | ABCB11 (0.52) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8904442 | 0.84 | CYP1A2 (0.46) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8904218 | 0.83 | ABCB11 (0.51) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 | |
| SCHEMBL8904972 | 0.83 | ABCB11 (0.51) | ALDH1A1LMNACYP1A2TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |