Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601750 | 1.00 | ATM (0.44) | ATMTDP1ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL13601772 | 0.92 | GAA (0.43) | TDP1ALDH1A1PKMKDM4ESMN1; SMN2 | |
| SCHEMBL13601751 | 0.92 | GAA (0.43) | TDP1ALDH1A1PKMKDM4ESMN1; SMN2 | |
| SCHEMBL9246142 | 0.85 | FKBP1A (0.42) | KMT2AMEN1CYP1A2 | |
| SCHEMBL12881538 | 0.82 | ATM (0.39) | ATMTDP1ALDH1A1L3MBTL1KMT2A | |
| SCHEMBL7262161 | 0.80 | FKBP1A (0.46) | — | |
| SCHEMBL501793 | 0.79 | ATM (0.48) | ATMALDH1A1L3MBTL1KMT2AMEN1 | |
| SCHEMBL16609931 | 0.79 | FKBP1A (0.38) | CYP3A4CYP2D6 | |
| SCHEMBL1377797 | 0.79 | ATM (0.50) | ATMALDH1A1L3MBTL1KMT2AMEN1 | |
| SCHEMBL13601739 | 0.79 | PPM1B (0.41) | CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |