Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.35 |
| ▸ | OXTR | P30559 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17060548 | 0.69 | HTT (0.35) | ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL1716814 | 0.67 | USP2 (0.42) | ALDH1A1KDM4ESMN1; SMN2HTTKMT2A | |
| SCHEMBL1705698 | 0.67 | USP2 (0.42) | ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL2399882 | 0.67 | USP2 (0.42) | ALDH1A1KDM4ESMN1; SMN2HTTKMT2A | |
| SCHEMBL2397125 | 0.67 | USP2 (0.42) | ALDH1A1KDM4ESMN1; SMN2HTTKMT2A | |
| SCHEMBL8622327 | 0.66 | KMT2A (0.37) | ALDH1A1KDM4EPSEN1PSEN2APH1B | |
| Hydrochloric Acid SCHEMBL27671529 | 0.66 | NOS3 (0.40) | HTT | |
| SCHEMBL11620703 | 0.65 | KMT2A (0.41) | ALDH1A1KDM4ESMN1; SMN2PSEN1PSEN2 | |
| SCHEMBL13162613 | 0.65 | — | — | |
| SCHEMBL13162637 | 0.65 | — | — |
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-8063104-B2 | Guanidine derivatives as inhibitors of DDAH | UCL BUSINESS PLC (GB) | 2011-11-22 | — | — | US | disclosed |