Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17803290 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL9097897 | 0.88 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL15443062 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL9806822 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL11807272 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL11591761 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL18888 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL1441063 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL5483 | 0.85 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL4282507 | 0.85 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR |
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-8877749-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | Bristol-Myers Squibbs Company (US) | 2014-11-04 | — | — | US | disclosed |