Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11649160 | 0.71 | CES1 (0.40) | CES1SMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL10867730 | 0.64 | NPC1 (0.43) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| SCHEMBL11635424 | 0.62 | NSD2 (0.46) | SMN1; SMN2HTTKDM4ELMNAKMT2A | |
| SCHEMBL15138008 | 0.62 | ROCK1 (0.48) | SMN1; SMN2HTTLMNAKMT2AMEN1 | |
| Pyrene SCHEMBL11229068 | 0.62 | TSHR (0.65) | KDM4ELMNAALDH1A1MAPK1HPGD | |
| SCHEMBL20088341 | 0.62 | CES1 (0.44) | CES1SMN1; SMN2KMT2AMEN1ROCK1 | |
| SCHEMBL19122704 | 0.62 | CES1 (0.53) | CES1SMN1; SMN2KMT2AMEN1ROCK1 | |
| SCHEMBL10299987 | 0.61 | ALDH1A1 (0.38) | CES1KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL8332339 | 0.61 | ROCK1 (0.50) | SMN1; SMN2KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL29929651 | 0.61 | SCN9A (0.47) | KDM4ELMNAALDH1A1TP53HTR6 |
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-4000141-A | SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3992405-A | ESPECIALLY FOR DYEING POLYACRYLIC FIBERS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | disclosed |