Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 4/20 | 0.40 |
| ▸ | MMP1 | P03956 | 3/20 | 0.40 |
| ▸ | MMP7 | P09237 | 3/20 | 0.40 |
| ▸ | MMP12 | P39900 | 3/20 | 0.40 |
| ▸ | ACE | P12821 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1041252 | 0.84 | PSIP1 (0.47) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL2443658 | 0.78 | PSIP1 (0.54) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL13276428 | 0.78 | PSIP1 (0.54) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL28721407 | 0.78 | ATM (0.43) | PSIP1TDP1ATMSMN1; SMN2HSD11B1 | |
| SCHEMBL28023039 | 0.77 | TSHR (0.47) | PSIP1TDP1ATMSMN1; SMN2HSD11B1 | |
| SCHEMBL2446838 | 0.77 | PSIP1 (0.52) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL28023032 | 0.76 | PSIP1 (0.47) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL28895074 | 0.75 | PSIP1 (0.50) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL3701827 | 0.75 | PSIP1 (0.50) | PSIP1TDP1ATMCCR5HTR6 | |
| SCHEMBL28023638 | 0.75 | PSIP1 (0.50) | PSIP1TDP1ATMCCR5HTR6 |
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-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |