Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7112593 | 0.75 | TSHR (0.33) | TSHRTP53DAONAPRTALDH1A1 | |
| SCHEMBL813575 | 0.71 | TSHR (0.35) | TSHRTP53DAONAPRTALDH1A1 | |
| SCHEMBL813574 | 0.71 | TSHR (0.35) | TSHRTP53DAONAPRTALDH1A1 | |
| SCHEMBL19261316 | 0.67 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL27723749 | 0.65 | TSHR (0.41) | TSHRTP53DAONAPRTALDH1A1 | |
| SCHEMBL1226420 | 0.65 | POLB (0.47) | TSHRTP53ALDH1A1ALOX15CYP1A2 | |
| SCHEMBL4104220 | 0.65 | — | — | |
| SCHEMBL5484576 | 0.61 | — | — | |
| SCHEMBL10964095 | 0.58 | ALOX15 (0.36) | TSHRTP53DAONAPRTALDH1A1 | |
| SCHEMBL22362544 | 0.58 | TSHR (0.35) | TSHRTP53DAONAPRTALDH1A1 |
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-109503617-A | A kind of preparation method of 3- carboxymethyl -1,2,4- pentamethylene tricarboxylic acids -1,4:2,3- dianhydride | 青岛科技大学 | 2019-03-22 | — | — | CN | disclosed |