Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601664 | 0.91 | DNM1 (0.46) | TSHRLMNAPOLBALDH1A1DNM1 | |
| SCHEMBL12881501 | 0.89 | GNAI3 (0.51) | TSHRLMNAPOLBALDH1A1DNM1 | |
| SCHEMBL12881521 | 0.89 | BDKRB1 (0.42) | TSHRLMNAPOLBALDH1A1DNM1 | |
| SCHEMBL12881529 | 0.88 | BDKRB1 (0.41) | TSHRLMNAPOLBALDH1A1RAB9A | |
| SCHEMBL13601633 | 0.84 | NPC1 (0.55) | TSHRLMNAPOLBALDH1A1DNM1 | |
| SCHEMBL13601659 | 0.84 | LMNA (0.49) | TSHRLMNAPOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL4685619 | 0.82 | ALDH1A1 (0.46) | TSHRLMNAPOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL13601506 | 0.82 | DNM1 (0.43) | TSHRALDH1A1DNM1SMN1; SMN2RAB9A | |
| SCHEMBL12259091 | 0.81 | SIGMAR1 (0.48) | ALDH1A1SMN1; SMN2KMT2AMEN1HPGD | |
| SCHEMBL13601661 | 0.81 | HTR2C (0.51) | TSHRLMNAPOLBALDH1A1DNM1 |
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 |