Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 3/20 | 0.55 |
| ▸ | PKLR | P30613 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL20145597 | 0.98 | TSHR (0.75) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3245089 | 0.85 | CYP3A4 (0.60) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6559984 | 0.85 | KMT2A (0.62) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7650437 | 0.85 | KMT2A (0.58) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL19348478 | 0.85 | KMT2A (0.67) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30754653 | 0.84 | KMT2A (0.56) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3343329 | 0.84 | PKM (0.58) | TSHRALDH1A1SMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL4001721 | 0.83 | KMT2A (0.52) | TSHRCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1180519 | 0.82 | KMT2A (0.55) | TSHRCYP3A4CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL24711286 | 0.81 | HTR2A (0.55) | TSHRCYP2C19ALDH1A1SMN1; SMN2KMT2A |
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-2007065093-A2 | PYRROLIDINEANILINES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-07 | — | — | WO | disclosed |