Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | F10 | P00742 | 2/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17887509 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HTTRAB9AF10KLKB1 | |
| SCHEMBL6412640 | 0.80 | ALDH1A1 (0.68) | ALDH1A1HTTRAB9APYCR1SMN1; SMN2 | |
| SCHEMBL10282498 | 0.79 | NPC1 (0.57) | ALDH1A1RAB9ASMN1; SMN2NPC1AOC3 | |
| SCHEMBL23641242 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HTTRAB9APYCR1SMN1; SMN2 | |
| SCHEMBL14344795 | 0.78 | RIPK1 (0.56) | PYCR1NPC1IDO1AOC3 | |
| SCHEMBL17202936 | 0.77 | ALDH1A1 (0.47) | ALDH1A1F10KLKB1MAPTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8306028 | 0.75 | ALDH1A1 (0.46) | ALDH1A1F10KLKB1MAPTL3MBTL1 | |
| SCHEMBL11300231 | 0.74 | ALDH1A1 (0.66) | ALDH1A1HTTRAB9APYCR1SMN1; SMN2 | |
| SCHEMBL9824160 | 0.74 | ALDH1A1 (0.70) | ALDH1A1HTTRAB9ASMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL1937395 | 0.74 | ALDH1A1 (0.47) | ALDH1A1HTTRAB9AF10KLKB1 |
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-2009082526-A2 | ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION | PHARMACOPEIA, INC. (US) | 2009-07-02 | — | — | WO | disclosed |