Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL23979010 | 0.90 | NPC1 (0.42) | NPC1SMN1; SMN2MEN1KMT2AHCRTR1 | |
| SCHEMBL23979030 | 0.89 | NPC1 (0.46) | NPC1MEN1KMT2AHCRTR1APEX1 | |
| SCHEMBL23978995 | 0.86 | TACR1 (0.42) | TACR1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL26502639 | 0.86 | TACR1 (0.42) | TACR1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL23978829 | 0.85 | ITGB1 (0.46) | TACR1NPC1ALDH1A1TP53MEN1 | |
| SCHEMBL23978850 | 0.84 | KDM4E (0.42) | TACR1SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL24803383 | 0.82 | EPHX2 (0.42) | TACR1 | |
| SCHEMBL30083842 | 0.82 | EPHX2 (0.42) | TACR1 | |
| SCHEMBL26498658 | 0.82 | EPHX2 (0.42) | TACR1 | |
| SCHEMBL26508696 | 0.82 | TRPV1 (0.43) | TACR1NPC1RAB9ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |