Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.95 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL73252 | 0.97 | ACHE (1.00) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL2484690 | 0.97 | ACHE (1.00) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28481150 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL29272601 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28159293 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL9734611 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL6751959 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL9402408 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28533556 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 | |
| 4-Nitrotoluene SCHEMBL28284448 | 0.95 | ACHE (0.95) | ACHEHSD17B10ALDH1A1TSHRTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414393-A | Diamine compound for liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element | 东进世美肯株式会社 | 2017-02-15 | — | — | CN | disclosed |