Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11453212 | 0.86 | CYP2A13 (0.35) | ALDH1A1TAAR1LMNATSHRCYP2A13 | |
| SCHEMBL11541996 | 0.79 | HTR2C (0.40) | ALDH1A1LMNATSHRCYP2A13SMN1; SMN2 | |
| SCHEMBL11452099 | 0.79 | SLC6A4 (0.41) | ALDH1A1TSHRCYP2A13SLC6A4CYP17A1 | |
| SCHEMBL30380036 | 0.79 | SLC6A4 (0.41) | ALDH1A1TSHRCYP2A13SLC6A4CYP17A1 | |
| SCHEMBL11544520 | 0.79 | ATM (0.36) | ALDH1A1AKR1C3TSHRCYP2A13SLC6A4 | |
| SCHEMBL11545255 | 0.78 | ALDH1A1 (0.34) | ALDH1A1HDAC4LMNATSHRCYP2A13 | |
| SCHEMBL11454139 | 0.76 | GPR35 (0.31) | — | |
| SCHEMBL11472677 | 0.76 | — | — | |
| SCHEMBL10848350 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TSHRSLC6A4SMN1; SMN2 | |
| SCHEMBL11544621 | 0.74 | HTT (0.42) | ALDH1A1OPRK1OPRM1MEN1KMT2A |
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 |