Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048688 | 0.81 | TMIGD3 (0.58) | TMIGD3ADORA2ASMN1; SMN2TSHRGAA | |
| SCHEMBL27110794 | 0.74 | KDM4E (0.50) | SMN1; SMN2GAARAB9ANPC1MAPT | |
| SCHEMBL18938333 | 0.71 | TSHR (0.56) | ADORA2ASMN1; SMN2TSHRGAALMNA | |
| SCHEMBL8676653 | 0.69 | PTGS2 (0.61) | SMN1; SMN2TSHRGAALMNAALOX15 | |
| SCHEMBL28772850 | 0.69 | NPC1 (0.46) | ADORA2ASMN1; SMN2GAALMNAMAPK1 | |
| SCHEMBL8379241 | 0.69 | TSHR (0.56) | TMIGD3ADORA2ASMN1; SMN2TSHRGAA | |
| SCHEMBL20805585 | 0.67 | NPC1 (0.44) | ADORA2ASMN1; SMN2GAARAB9ANPC1 | |
| SCHEMBL27494568 | 0.66 | TMIGD3 (0.51) | TMIGD3ADORA2ASMN1; SMN2TSHRGAA | |
| SCHEMBL27494569 | 0.66 | ADORA2A (0.51) | TMIGD3ADORA2ATSHRGAALMNA | |
| SCHEMBL4318402 | 0.66 | ALDH1A1 (0.46) | TMIGD3ADORA2ASMN1; SMN2TSHRGAA |
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-108069916-A | A kind of 2,4- diaryl for preparing phenyl ring ortho position acetoxylation substitutes the method for -1,3,5 pyrrolotriazine derivatives | 中国科学院大连化学物理研究所 | 2018-05-25 | — | — | CN | disclosed |