Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL27677704 | 0.80 | HTR6 (0.49) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL443597 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL3882522 | 0.77 | ALDH1A1 (0.49) | ALDH1A1TSHRHPGDL3MBTL1ACHE | |
| SCHEMBL7501787 | 0.76 | LTA4H (0.41) | SLC6A2SLC6A4LTA4H | |
| SCHEMBL5864571 | 0.74 | KCNJ1 (0.47) | TSHRKMT2ALTA4HAR | |
| SCHEMBL8140360 | 0.74 | KCNJ1 (0.47) | TSHRKMT2ALTA4HAR | |
| SCHEMBL26091221 | 0.74 | KCNJ1 (0.47) | TSHRKMT2ALTA4HAR | |
| SCHEMBL3048660 | 0.74 | KCNJ1 (0.47) | TSHRKMT2ALTA4HAR | |
| SCHEMBL9756598 | 0.74 | KCNJ1 (0.47) | TSHRKMT2ALTA4HAR | |
| SCHEMBL26091219 | 0.74 | KCNJ1 (0.47) | TSHRKMT2ALTA4HAR |
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-7012140-B1 | Selection of coordination geometry to adjust water exchange rates of paramagnetic metal ion-based macrocyclic contrast agents | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-03-14 | — | — | US | disclosed |