Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL15844961 | 0.76 | IDO1 (0.48) | IDO1CYP2A6TAAR1AGXTALDH1A1 | |
| SCHEMBL2685386 | 0.74 | IDO1 (0.46) | IDO1TAAR1AGXTLMNACYP19A1 | |
| SCHEMBL992532 | 0.72 | — | — | |
| SCHEMBL15102980 | 0.70 | AGXT (0.43) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL45443 | 0.69 | — | — | |
| SCHEMBL3839488 | 0.69 | IDO1 (0.41) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL1149394 | 0.67 | IDO1 (0.58) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL11410252 | 0.67 | IDO1 (0.58) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL143961 | 0.67 | CYP1A2 (0.68) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL11288839 | 0.67 | CYP1A2 (0.68) | IDO1CYP1A2CYP2A6TAAR1ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103665025-B | The synthetic method of adamantyl benzocyclobutene monomer and polymer thereof | 复旦大学 | 2016-07-06 | — | — | CN | claimed |
| CN-103665025-B | The synthetic method of adamantyl benzocyclobutene monomer and polymer thereof | 复旦大学 | 2016-07-06 | — | — | CN | disclosed |