Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12773998 | 0.88 | CYP2C9 (0.37) | TSHRCYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12774050 | 0.87 | CYP1A2 (0.40) | TSHRCYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12774086 | 0.87 | CYP1A2 (0.37) | TSHRCYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13601528 | 0.87 | TP53 (0.43) | TSHRSMN1; SMN2ALDH1A1HTTKDM4E | |
| SCHEMBL13601364 | 0.83 | MAPT (0.43) | TSHRCYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12842150 | 0.82 | CYP1A2 (0.36) | TSHRCYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1127888 | 0.79 | ALDH1A1 (0.45) | TSHRSIGMAR1ALDH1A1HTTKDM4E | |
| Hydrochloric Acid SCHEMBL5986631 | 0.77 | ALDH1A1 (0.47) | TSHRSIGMAR1ALDH1A1HTTKDM4E | |
| SCHEMBL8261022 | 0.77 | SMN1; SMN2 (0.55) | TSHRCYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13601737 | 0.77 | MAPT (0.40) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |