Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL147113 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP2A6CYP1A2PARP15PARP10 | |
| SCHEMBL10690497 | 0.77 | CYP2A6 (0.37) | ALDH1A1CYP2A6CYP1A2PARP15PARP10 | |
| SCHEMBL24451614 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CYP1A2PARP15PARP10 | |
| SCHEMBL16023586 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CYP1A2PARP15PARP10 | |
| SCHEMBL4805151 | 0.75 | CA2 (0.56) | ALDH1A1PARP15PARP10TNKS2ACHE | |
| SCHEMBL4806043 | 0.74 | CA2 (0.55) | ALDH1A1CYP1A2PARP15TNKS2PARP2 | |
| SCHEMBL28389963 | 0.74 | PSMB8 (0.37) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL14265471 | 0.74 | ALOX5 (0.39) | ALDH1A1CYP2A6CYP1A2CHRNA7HTR3A | |
| SCHEMBL26144290 | 0.74 | CHRNA7 (0.35) | ALDH1A1CYP2A6CYP1A2PARP15PARP10 | |
| SCHEMBL17345850 | 0.74 | S1PR5 (0.39) | ALDH1A1CYP2A6CYP1A2PARP15PARP10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4737516-A | FUNGICIDES | SANDOZ LTD. (CH) | 1988-04-12 | — | — | US | disclosed |