Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 5/20 | 0.40 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8179501 | 0.93 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTALOX15PDE10A | |
| SCHEMBL8176737 | 0.92 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTALOX15ACHE | |
| Bicarbonate SCHEMBL7017197 | 0.90 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPTALOX15GAA | |
| SCHEMBL8179863 | 0.86 | ESR1 (0.42) | ALDH1A1LMNAMAPTACHEAPP | |
| SCHEMBL8179485 | 0.86 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTALOX15GAA | |
| SCHEMBL8184358 | 0.86 | PDE5A (0.45) | — | |
| SCHEMBL8171487 | 0.86 | MAPT (0.46) | ALDH1A1LMNAMAPTGAAACHE | |
| SCHEMBL8183118 | 0.85 | ALDH1A1 (0.59) | ALDH1A1LMNAMAPTALOX15GAA | |
| SCHEMBL8178313 | 0.85 | ACHE (0.44) | ACHEAPPBCHEMEN1KMT2A | |
| SCHEMBL8181994 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTALOX15GAA |
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-6130223-A | Thienopyrimidine with phosphodiesterase V inhibiting effect | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-10-10 | — | — | US | disclosed |