Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1795399 | 0.84 | SIGMAR1 (0.52) | SIGMAR1ALDH1A1RAB9ANPC1TDP1 | |
| SCHEMBL28821130 | 0.83 | SIGMAR1 (0.61) | SIGMAR1ALDH1A1RAB9ANPC1TDP1 | |
| SCHEMBL3782643 | 0.81 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1RAB9ANPC1TDP1 | |
| SCHEMBL6582932 | 0.80 | SIGMAR1 (0.61) | SIGMAR1ALDH1A1TDP1NPSR1HTT | |
| SCHEMBL4869612 | 0.79 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1RAB9ANPC1TDP1 | |
| SCHEMBL10521343 | 0.78 | ALDH1A1 (0.65) | ALDH1A1RAB9ANPC1TDP1KMT2A | |
| SCHEMBL7914999 | 0.77 | SIGMAR1 (0.55) | SIGMAR1ALDH1A1RAB9ANPC1TDP1 | |
| SCHEMBL3077466 | 0.77 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1RAB9ANPC1TDP1 | |
| SCHEMBL10492074 | 0.76 | SIGMAR1 (0.57) | SIGMAR1ALDH1A1KMT2AMEN1NPSR1 | |
| SCHEMBL2799227 | 0.76 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1TDP1KMT2ANPSR1 |
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-104781367-A | Polymers based on naphthodiketones | BASF SE | 2015-07-15 | — | — | CN | disclosed |