Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31541221 | 0.84 | AKR1C3 (0.46) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL11416719 | 0.80 | CHRM1 (0.44) | MAPTLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL11738814 | 0.76 | GABRP (0.49) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL11657881 | 0.74 | MAPT (0.64) | MAPTLMNAALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL28157462 | 0.73 | NR4A1 (0.61) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL333291 | 0.73 | MAPT (0.67) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL31384417 | 0.73 | MAPT (0.67) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL9853532 | 0.73 | S100B (0.44) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL11681422 | 0.72 | HTT (0.55) | MAPTLMNAALDH1A1SMN1; SMN2HTT | |
| SCHEMBL10624160 | 0.72 | HTT (0.55) | MAPTLMNAALDH1A1SMN1; SMN2HTT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113663463-B | Odor inhibitor | 日东生物科技(浙江)有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-113663463-A | Odor inhibitor | 日东生物科技(浙江)有限公司 | 2021-11-19 | — | — | CN | claimed |
| US-11961595-B2 | Computational generation of chemical synthesis routes and methods | SRI INTERNATIONAL (US) | 2024-04-16 | — | — | US | disclosed |
| CN-113663463-B | Odor inhibitor | 日东生物科技(浙江)有限公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-113663463-A | Odor inhibitor | 日东生物科技(浙江)有限公司 | 2021-11-19 | — | — | CN | disclosed |
| US-20210065851-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | SRI INTERNATIONAL | 2021-03-04 | — | — | US | disclosed |
| CN-112272764-A | Computational generation of chemical synthetic routes and methods | 斯坦福国际研究院 | 2021-01-26 | — | — | CN | disclosed |
| EP-3746772-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | Madrid, Peter (US) | 2020-12-09 | — | — | EP | disclosed |
| WO-2019156872-A9 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | MADRID PETER (US) | 2019-10-03 | — | — | WO | disclosed |
| WO-2019156872-A1 | COMPUTATIONAL GENERATION OF CHEMICAL SYNTHESIS ROUTES AND METHODS | MADRID PETER (US) | 2019-08-15 | — | — | WO | disclosed |