Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28451212 | 0.88 | LMNA (0.44) | TSHRLMNACYP1A2CYP2D6POLB | |
| SCHEMBL12671106 | 0.86 | TSHR (0.65) | TSHRLMNACYP1A2CYP2D6POLB | |
| SCHEMBL3223085 | 0.83 | TSHR (0.69) | TSHRLMNACYP1A2CYP2D6POLB | |
| SCHEMBL7877735 | 0.82 | ALDH1A1 (0.48) | LMNAPOLBALDH1A1HDAC3HDAC1 | |
| SCHEMBL2945207 | 0.80 | ALDH1A1 (0.45) | LMNAPOLBALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL10962715 | 0.79 | POLB (0.47) | POLBALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL154270 | 0.79 | ALDH1A1 (0.48) | POLBALDH1A1MAOBCHRM1HDAC3 | |
| SCHEMBL28664666 | 0.78 | POLB (0.48) | LMNAPOLBALDH1A1HDAC3HDAC1 | |
| SCHEMBL28562689 | 0.78 | POLB (0.46) | LMNACYP1A2CYP2D6POLBALDH1A1 | |
| SCHEMBL17508109 | 0.77 | ALDH1A1 (0.47) | POLBALDH1A1MAOBHDAC3HDAC1 |
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-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 洛克菲勒大学 | 2020-09-15 | — | — | CN | disclosed |