Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA9 | Q16790 | 3/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA3 | P07451 | 2/20 | 0.65 |
| ▸ | CA4 | P22748 | 2/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27981066 | 1.00 | CA12 (0.65) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL6908600 | 1.00 | CA12 (0.65) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL2209460 | 1.00 | CA12 (0.65) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL28569310 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL28498144 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL28637371 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL6904843 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL28802815 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL6907309 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 | |
| Phenol SCHEMBL28097713 | 0.97 | TDP1 (0.61) | CA12CA2CA9CA14TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103992342-B | Metallic aluminium coordination compound and application in an organic light emitting device thereof | 清华大学 | 2016-07-06 | — | — | CN | disclosed |
| CN-103992342-A | Metal aluminium complex and application thereof to organic luminescent device | UNIV TSINGHUA | 2014-08-20 | — | — | CN | disclosed |