Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.45 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | GNRHR | P30968 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL5274227 | 0.82 | TSHR (0.50) | TSHRPYCR1LMNAALDH1A1POLB | |
| SCHEMBL10918542 | 0.74 | TSHR (0.71) | TSHRMEN1MAPTKMT2APYCR1 | |
| SCHEMBL26982544 | 0.71 | CYP1A2 (0.39) | MEN1MAPTKMT2ALMNAALDH1A1 | |
| SCHEMBL27323340 | 0.70 | TSHR (0.61) | TSHRMEN1MAPTKMT2APYCR1 | |
| SCHEMBL30781045 | 0.70 | TSHR (0.61) | TSHRMEN1MAPTKMT2APYCR1 | |
| SCHEMBL26982545 | 0.70 | ALDH1A1 (0.42) | TSHRMEN1KMT2AALDH1A1HTT | |
| SCHEMBL29864638 | 0.70 | TSHR (0.65) | TSHRMEN1MAPTKMT2ALMNA | |
| SCHEMBL5250015 | 0.70 | TSHR (0.65) | TSHRMEN1MAPTKMT2ALMNA | |
| SCHEMBL8713184 | 0.69 | TSHR (0.69) | TSHRMEN1MAPTKMT2APYCR1 | |
| SCHEMBL21803734 | 0.69 | CYP19A1 (0.57) | TSHRMEN1MAPTKMT2APYCR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998020349-A1 | COMPLEX CHEMICAL LIBRARIES | ISIS PHARMACEUTICALS, INC. (US) | 1998-05-14 | — | — | WO | disclosed |