Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4853725 | 0.86 | ACHE (0.47) | ACHECYP1A2ERBB2FYNMAOA | |
| SCHEMBL5053754 | 0.84 | PNMT (0.44) | ACHECYP1A2ERBB2FYNMAOA | |
| SCHEMBL7511602 | 0.80 | PNMT (0.39) | ACHECYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL22645278 | 0.80 | CA1 (0.39) | ACHECYP1A2ERBB2FYNMAOA | |
| SCHEMBL28360159 | 0.79 | PNMT (0.40) | ACHECYP1A2ERBB2FYNMAOA | |
| SCHEMBL827870 | 0.79 | PNMT (0.40) | ACHECYP1A2ERBB2FYNMAOA | |
| Benzo[E]Pyrene SCHEMBL28074705 | 0.79 | ALDH1A1 (0.64) | ACHECYP1A2ERBB2FYNMAOA | |
| SCHEMBL29016819 | 0.79 | ALDH1A1 (0.46) | ACHECYP1A2ERBB2FYNMAOA | |
| Pyrene SCHEMBL28755896 | 0.79 | ACHE (0.42) | ACHECYP1A2ERBB2FYNMAOA | |
| Anthracene SCHEMBL28530330 | 0.78 | CA1 (0.40) | ACHECYP1A2ERBB2FYNMAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-110097926-B | Method for predicting carrier mobility of amorphous pyrene fluorene derivative | 南京邮电大学 | 2022-08-02 | — | — | CN | claimed |
| CN-110097926-B | Method for predicting carrier mobility of amorphous pyrene fluorene derivative | 南京邮电大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-110097926-B | Method for predicting carrier mobility of amorphous pyrene fluorene derivative | 南京邮电大学 | 2022-08-02 | — | — | CN | disclosed |