Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL9060745 | 1.00 | ACHE (0.69) | ACHELMNATSHRALOX12TP53 | |
| Toluene SCHEMBL135978 | 1.00 | ACHE (0.69) | ACHELMNATSHRALOX12TP53 | |
| Toluene SCHEMBL3418554 | 1.00 | ACHE (0.69) | ACHELMNATSHRALOX12TP53 | |
| Toluene SCHEMBL991792 | 0.97 | ACHE (0.73) | ACHELMNATSHRALOX12TP53 | |
| Toluene SCHEMBL6581413 | 0.94 | ACHE (0.69) | ACHELMNATSHRALOX12TP53 | |
| Toluene SCHEMBL6697996 | 0.87 | ACHE (0.79) | ACHELMNATSHRALOX12TP53 | |
| Toluene SCHEMBL28760923 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL27482738 | 0.87 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL628172 | 0.87 | — | — | |
| Toluene SCHEMBL15009 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170130095-A1 | LOW FREE MDI PREPOLYMERS FOR ROTATIONAL CASTING | LANXESS SOLUTIONS US INC. | 2017-05-11 | — | — | US | claimed |
| CN-113045754-A | Polyimide molding powder containing isomeric mixed diamine monomer and preparation method thereof | 江汉大学 | 2021-06-29 | — | — | CN | disclosed |
| WO-1991010691-A1 | CURATIVE FOR STRUCTURAL URETHANE ADHESIVE | ASHLAND OIL, INC. (US) | 1991-07-25 | — | — | WO | disclosed |
| US-5002806-A | Polyol, slow and fast reacting polyamines; fiberglass reinforced polyester substrates | ASHLAND OIL, INC. (US) | 1991-03-26 | — | — | US | disclosed |