Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 9/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13671893 | 0.85 | GAA (0.34) | AHRTSHRTP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL3160124 | 0.83 | GPR3 (0.61) | AHRHPGDGPR3KDM4EALDH1A1 | |
| SCHEMBL13342900 | 0.78 | CD44 (0.42) | TSHRTP53ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL4920561 | 0.78 | CD44 (0.42) | DAO | |
| SCHEMBL4917159 | 0.75 | NOTUM (0.36) | — | |
| SCHEMBL9511286 | 0.73 | HSD17B10 (0.55) | AHRHPGDTSHRHSD17B10ALDH1A1 | |
| SCHEMBL4922918 | 0.73 | GRIN2D (0.42) | MAPTRAB9A | |
| SCHEMBL13197717 | 0.71 | AHR (0.53) | AHRMAPK1FLT1HPGDTSHR | |
| SCHEMBL4920632 | 0.69 | LMNA (0.40) | MAPK1HPGDHSD17B10TP53KDM4E | |
| SCHEMBL4920650 | 0.69 | CD44 (0.34) | — |
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-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |