Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ORAI1 | Q96D31 | 3/20 | 0.43 |
| ▸ | ORAI2 | Q96SN7 | 3/20 | 0.43 |
| ▸ | ORAI3 | Q9BRQ5 | 3/20 | 0.43 |
| ▸ | TRPV6 | Q9H1D0 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8610334 | 0.70 | TRPV6 (0.52) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| SCHEMBL18196387 | 0.69 | — | — | |
| SCHEMBL4195534 | 0.68 | TRPV6 (0.43) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| SCHEMBL28972078 | 0.68 | ORAI1 (0.43) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| SCHEMBL29066693 | 0.67 | — | — | |
| Water SCHEMBL27835251 | 0.67 | TRPV6 (0.42) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| Phenylboronic Acid SCHEMBL4618848 | 0.64 | CA4 (0.64) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| Phenylboronic Acid SCHEMBL23824843 | 0.63 | ENPP2 (0.74) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| Phenylboronic Acid SCHEMBL28944102 | 0.63 | ENPP2 (0.74) | ORAI1ORAI2ORAI3TRPV6CA4 | |
| Oxalic Acid SCHEMBL1240224 | 0.63 | TRPV6 (0.43) | ORAI1ORAI2ORAI3TRPV6CA4 |
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-5659027-A | BORONATED AT RING NITROGEN OF PURINE OR PYRIMIDINE BASE OR AT AN AMINO SUBSTITUENT OF THE NUCLEOSIDE SUGAR | UNIVERSITY OF NORTH CAROLINA (US) | 1997-08-19 | — | — | US | disclosed |