Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.36 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29411832 | 0.85 | CALM1 (0.52) | IDH1CALM1LMNA | |
| SCHEMBL9507669 | 0.85 | CALM1 (0.52) | IDH1CALM1LMNA | |
| SCHEMBL27690772 | 0.83 | CALM1 (0.50) | IDH1CALM1LMNAACHE | |
| SCHEMBL9508140 | 0.81 | DRD2 (0.44) | MAOBMAOAMAPTLMNAPGR | |
| SCHEMBL9507653 | 0.79 | SNCA (0.47) | LMNAPGRCHRM2HTR1AADRA2A | |
| SCHEMBL9511458 | 0.79 | SNCA (0.47) | LMNAPGRCHRM2HTR1AADRA2A | |
| SCHEMBL854445 | 0.77 | TSHR (0.59) | MAOBMAOACALM1SAE1UBA2 | |
| SCHEMBL4196662 | 0.76 | HRH3 (0.54) | MAOBIDH1MAOACALM1LMNA | |
| SCHEMBL21386336 | 0.72 | MAOB (0.46) | MAOBIDH1MAOASAE1UBA2 | |
| SCHEMBL31739226 | 0.72 | MAOB (0.46) | MAOBIDH1MAOASAE1UBA2 |
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 |