Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 5/20 | 0.41 |
| ▸ | CD74 | P04233 | 3/20 | 0.41 |
| ▸ | CBX7 | O95931 | 3/20 | 0.40 |
| ▸ | CDYL2 | Q8N8U2 | 3/20 | 0.40 |
| ▸ | CDYL | Q9Y232 | 3/20 | 0.40 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9716054 | 0.81 | MIF (0.46) | KMOLMNAALDH1A1MIFCD74 | |
| SCHEMBL9715940 | 0.81 | KMO (0.58) | KMOSMN1; SMN2ALDH1A1MIFCD74 | |
| SCHEMBL9716010 | 0.81 | MET (0.51) | KMOLMNAALDH1A1MIFCD74 | |
| SCHEMBL9715996 | 0.78 | KMO (0.54) | KMOTSHRALDH1A1 | |
| SCHEMBL9716052 | 0.76 | MIF (0.57) | TSHRHTTLMNAALDH1A1MIF | |
| SCHEMBL9715962 | 0.76 | GAA (0.39) | LMNAALDH1A1MIFCD74CBX7 | |
| SCHEMBL9715971 | 0.76 | CYP2A6 (0.41) | MIFCD74CBX7CDYL2CDYL | |
| SCHEMBL9715993 | 0.74 | KMO (0.43) | KMOTSHR | |
| SCHEMBL9715968 | 0.74 | CA12 (0.47) | TSHRHTTLMNAALDH1A1KDM4E | |
| SCHEMBL536309 | 0.73 | TDP1 (0.47) | KMOLMNAALDH1A1MIFCYP3A4 |
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-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |