Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL16189736 | 0.95 | TSHR (0.66) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11681591 | 0.91 | MAPT (0.61) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31191654 | 0.91 | MAPT (0.61) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11802487 | 0.89 | NR1I2 (0.65) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10731971 | 0.89 | CYP1A2 (0.76) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11809510 | 0.86 | MEN1 (0.65) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10652739 | 0.86 | CYP1A2 (0.66) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8440174 | 0.86 | TSHR (0.61) | TSHRMAPTNPSR1LMNAMEN1 | |
| SCHEMBL11435536 | 0.85 | MAPT (0.63) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10651685 | 0.85 | CYP1A2 (0.62) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646166-A | POTASSIUM CHANNEL MODULATORS, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-08 | — | — | US | claimed |
| US-3966948-A | Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | claimed |
| US-3966948-A | Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |