Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11164170 | 0.90 | TSHR (0.68) | TSHRNR1H2NR1H3CNR2S1PR1 | |
| SCHEMBL1859320 | 0.90 | CRHBP (0.54) | TSHRNR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL14283533 | 0.88 | TSHR (0.81) | TSHRNR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL7896008 | 0.84 | ALDH1A1 (0.59) | TSHRALDH1A1CYP3A4KDM4ELMNA | |
| SCHEMBL28490683 | 0.83 | TSHR (0.72) | TSHRNR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL6621779 | 0.83 | TSHR (0.79) | TSHRNR1H2NR1H3CNR2ALDH1A1 | |
| SCHEMBL24797145 | 0.83 | S1PR1 (0.49) | TSHRS1PR1NR3C1ALDH1A1CYP3A4 | |
| SCHEMBL179996 | 0.82 | TSHR (1.00) | TSHRNR1H2NR1H3CNR2ALDH1A1 | |
| SCHEMBL12774515 | 0.81 | TSHR (0.70) | TSHRNR1H2NR1H3CRHBPCRHR2 | |
| SCHEMBL1224833 | 0.81 | TSHR (0.70) | TSHRNR1H2NR1H3CRHBPCRHR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4059402-A | SUBLIMATION, MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-22 | — | — | US | disclosed |
| US-4041024-A | FOR POLYAMIDES AND POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-09 | — | — | US | disclosed |