Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| Decane SCHEMBL28489733 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| Heptane SCHEMBL28333266 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| Octane SCHEMBL28482856 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| Undecane SCHEMBL28333290 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| Pentane SCHEMBL28488550 | 0.97 | ALDH1A1 (0.49) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| Butane SCHEMBL28335758 | 0.93 | TRPM8 (0.49) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| Hexanoate SCHEMBL28335647 | 0.92 | AKR1B1 (0.47) | ALDH1A1TP53KMT2ACES2CES1 | |
| Valeric Acid SCHEMBL28481367 | 0.91 | ALDH1A1 (0.45) | ALDH1A1TP53TRPM8CYP3A4LMNA | |
| SCHEMBL1029152 | 0.89 | TRPM8 (0.50) | ALDH1A1TRPM8LMNASIGMAR1KMT2A | |
| Benzene SCHEMBL28335658 | 0.89 | TRPM8 (0.50) | ALDH1A1TRPM8LMNASIGMAR1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112020493-B | Method for producing urethane and method for producing isocyanate | 旭化成株式会社 | 2023-04-21 | — | — | CN | disclosed |
| CN-110546135-B | Method for producing isocyanate | 旭化成株式会社 | 2021-12-14 | — | — | CN | disclosed |
| CN-112020493-A | Method for producing carbamate and method for producing isocyanate | 旭化成株式会社 | 2020-12-01 | — | — | CN | disclosed |
| CN-110546135-A | Method for producing isocyanate | ASAHI CHEMICAL IND | 2019-12-06 | — | — | CN | disclosed |