Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29399077 | 0.88 | TSHR (0.73) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27753902 | 0.88 | TSHR (0.73) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL76834 | 0.88 | TSHR (0.73) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21758122 | 0.83 | TSHR (0.60) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2997461 | 0.81 | TSHR (0.77) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12554574 | 0.81 | TSHR (0.58) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8117596 | 0.81 | TSHR (0.58) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27781532 | 0.80 | TSHR (0.61) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7943307 | 0.79 | ALDH1A1 (0.54) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Apocynin SCHEMBL28029251 | 0.79 | MEN1 (0.72) | CYP1A2ALDH1A1KMT2ALMNAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017063755-A1 | CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-04-20 | — | — | WO | disclosed |
| WO-2017063754-A1 | CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS | POLYPHOR AG (CH) | 2017-04-20 | — | — | WO | disclosed |