Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HSPB1 | P04792 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21644480 | 0.84 | TSHR (0.62) | ALDH1A1HIF1AS1PR4CYP19A1TSHR | |
| SCHEMBL16848696 | 0.84 | CYP19A1 (0.61) | ALDH1A1HIF1AS1PR4CYP19A1TSHR | |
| SCHEMBL27038495 | 0.83 | TSHR (0.53) | ALDH1A1HIF1AS1PR4CYP19A1TSHR | |
| SCHEMBL29400372 | 0.83 | S1PR4 (0.52) | ALDH1A1HIF1AS1PR4CYP19A1TSHR | |
| SCHEMBL2144346 | 0.83 | S1PR4 (0.52) | ALDH1A1HIF1AS1PR4CYP19A1TSHR | |
| SCHEMBL11820701 | 0.81 | ALDH1A1 (0.51) | ALDH1A1S1PR4CYP19A1TSHRTDP1 | |
| SCHEMBL4774235 | 0.81 | HSD17B10 (0.51) | ALDH1A1CYP19A1TSHRTDP1HTT | |
| SCHEMBL3643810 | 0.81 | HTT (0.54) | ALDH1A1HIF1AS1PR4CYP19A1HSPB1 | |
| SCHEMBL1929569 | 0.80 | MAPT (0.58) | ALDH1A1CYP19A1TDP1HTTMAPT | |
| SCHEMBL29897285 | 0.80 | MAPT (0.58) | ALDH1A1CYP19A1TDP1HTTMAPT |
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-5639906-A | Fluorescent and NMR sensitive pH indicators | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-06-17 | — | — | US | disclosed |