Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8208661 | 0.98 | TSHR (0.56) | TSHRSIGMAR1LMNAALDH1A1HPGD | |
| SCHEMBL81981 | 0.95 | TSHR (0.59) | TSHRSIGMAR1LMNAALDH1A1HPGD | |
| SCHEMBL29531585 | 0.88 | TSHR (0.62) | TSHRSIGMAR1LMNAALDH1A1CYP1A2 | |
| SCHEMBL850312 | 0.88 | TSHR (0.62) | TSHRSIGMAR1LMNAALDH1A1CYP1A2 | |
| Bromide SCHEMBL20258220 | 0.86 | TSHR (0.61) | TSHRSIGMAR1LMNAALDH1A1CYP1A2 | |
| SCHEMBL9763338 | 0.84 | TSHR (0.48) | TSHRSIGMAR1LMNAALDH1A1HPGD | |
| SCHEMBL9175084 | 0.83 | TSHR (0.57) | TSHRSIGMAR1LMNAALDH1A1HPGD | |
| SCHEMBL3029808 | 0.83 | TSHR (0.57) | TSHRSIGMAR1LMNAALDH1A1HPGD | |
| SCHEMBL9175089 | 0.83 | TSHR (0.57) | TSHRSIGMAR1LMNAALDH1A1CYP1A2 | |
| SCHEMBL8867687 | 0.83 | TSHR (0.61) | TSHRSIGMAR1LMNAALDH1A1HPGD |
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-102464631-B | Piperazine substituted 1,3-2-substituted carbamide compounds and the substituted amides compound of piperazine and its production and use | 中国科学院上海药物研究所 | 2016-08-10 | — | — | CN | disclosed |