Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | S100B | P04271 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7531070 | 1.00 | TSHR (0.54) | TSHRCYP3A4MAPK1S100BITGB3 | |
| SCHEMBL8602763 | 0.83 | S100B (0.50) | TSHRCYP3A4S100BITGB3ITGAV | |
| SCHEMBL7530534 | 0.77 | CASP3 (0.61) | TSHRCYP3A4MAPK1MEN1NPC1 | |
| SCHEMBL7530530 | 0.77 | CASP3 (0.61) | TSHRCYP3A4MAPK1MEN1NPC1 | |
| SCHEMBL28057080 | 0.76 | MEN1 (0.50) | TSHRS100BITGB3ITGAVMEN1 | |
| SCHEMBL14701089 | 0.73 | S100B (0.46) | TSHRCYP3A4S100BITGB3ITGAV | |
| SCHEMBL8964888 | 0.72 | ALDH1A1 (0.50) | TSHRCYP3A4MAPK1S100BITGB3 | |
| SCHEMBL134755 | 0.71 | — | — | |
| SCHEMBL30631964 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9797291 | 0.69 | TSHR (0.94) | TSHRCYP3A4MAPK1MEN1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0818436-B1 | Process for the preparation of 4-hydroxyanilines | BAYER AG (DE) | 2002-03-20 | — | — | EP | disclosed |
| US-6124504-A | Process for preparing 4-hydroxyanilines | BAYER AKTIENGESELLSCHAFT (DE) | 2000-09-26 | — | — | US | disclosed |
| EP-0818436-A1 | Process for the preparation of 4-hydroxyanilines | BAYER AG (DE) | 1998-01-14 | — | — | EP | disclosed |