Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13601726 | 0.93 | SMN1; SMN2 (0.45) | TSHRTHRATHRBNPC1HPGD | |
| SCHEMBL12881455 | 0.87 | GNAI3 (0.58) | TSHRTHRATHRBNAAANPSR1 | |
| SCHEMBL13601724 | 0.86 | MAPT (0.44) | NPC1KDM4EALDH1A1MAPTGAA | |
| SCHEMBL12881468 | 0.86 | GNAI3 (0.42) | TSHRTHRATHRBNAAATP53 | |
| SCHEMBL12881482 | 0.86 | GNAI3 (0.42) | TSHRTHRATHRBNAAANPSR1 | |
| SCHEMBL22018193 | 0.83 | POLB (0.57) | TSHRTHRATHRBNAAAEPHX1 | |
| SCHEMBL20943327 | 0.83 | POLB (0.57) | TSHRTHRATHRBNAAAEPHX1 | |
| SCHEMBL21428430 | 0.81 | POLB (0.58) | THRATHRBNAAAEPHX1NPC1 | |
| SCHEMBL13601682 | 0.81 | HPGD (0.50) | TSHRNAAANPSR1RAD52EPHX1 | |
| SCHEMBL13601729 | 0.79 | MAPT (0.39) | TSHRNPC1HPGDALDH1A1MAPT |
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 |