Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11541996 | 0.79 | HTR2C (0.40) | ALDH1A1TSHRCYP2A13SMN1; SMN2LMNA | |
| SCHEMBL11546113 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TSHRHDAC4OPRM1CYP2A13 | |
| SCHEMBL11544621 | 0.77 | HTT (0.42) | ALDH1A1HTTOPRM1MEN1KMT2A | |
| SCHEMBL11455279 | 0.77 | PKM (0.33) | HTTMEN1KMT2A | |
| SCHEMBL11464755 | 0.76 | MAP3K14 (0.36) | CYP3A4 | |
| SCHEMBL10848350 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TSHRSMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL169659 | 0.72 | L3MBTL1 (0.47) | ALDH1A1TSHRHTTSMN1; SMN2MEN1 | |
| SCHEMBL12681587 | 0.72 | TSHR (0.38) | ALDH1A1TSHRHTTHDAC4OPRM1 | |
| SCHEMBL11453212 | 0.71 | CYP2A13 (0.35) | ALDH1A1TSHRCYP2A13LMNA | |
| SCHEMBL11542416 | 0.70 | HSP90AA1 (0.46) | ALDH1A1TSHRACHELMNAMEN1 |
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-4160838-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-07-10 | — | — | US | disclosed |
| US-4079062-A | ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1978-03-14 | — | — | US | disclosed |