Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18647211 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL18614110 | 0.77 | MAPT (0.41) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL3292556 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL9511253 | 0.73 | PARP14 (0.48) | MAPTKDM4E | |
| SCHEMBL21328045 | 0.73 | RAB9A (0.50) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL8964737 | 0.72 | ALDH1A1 (0.54) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL8964817 | 0.72 | L3MBTL1 (0.44) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| Dibenzothiophene SCHEMBL29220086 | 0.72 | GPR3 (0.64) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| Dibenzothiophene SCHEMBL30901453 | 0.72 | GPR3 (0.64) | ALDH1A1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL10778338 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TDP1L3MBTL1MAPTCYP3A4 |
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 |