Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | YAP1 | P46937 | 1/20 | 0.45 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13545185 | 0.87 | ALDH1A1 (0.54) | ALDH1A1PKMCA1CA2HDAC6 | |
| SCHEMBL16795019 | 0.86 | ALDH1A1 (0.52) | ALDH1A1PKMCA1CA2HDAC6 | |
| SCHEMBL15164809 | 0.86 | ALDH1A1 (0.52) | ALDH1A1PKMHDAC6TUBB4ATUBB | |
| SCHEMBL589219 | 0.85 | ALDH1A1 (0.61) | ALDH1A1PKMCA1CA2HDAC6 | |
| SCHEMBL13891893 | 0.83 | ALDH1A1 (0.50) | ALDH1A1PKMCA1CA2HDAC6 | |
| Hydrochloric Acid SCHEMBL15974180 | 0.82 | ALDH1A1 (0.49) | ALDH1A1PKMCA1CA2HDAC6 | |
| SCHEMBL4513102 | 0.82 | ALDH1A1 (0.75) | ALDH1A1PKMCA1CA2HDAC6 | |
| SCHEMBL1504624 | 0.82 | PKM (0.60) | ALDH1A1PKMCA1CA2HDAC6 | |
| SCHEMBL13757302 | 0.81 | PKM (0.50) | ALDH1A1PKMCA1CA2HDAC6 | |
| Hydrochloric Acid SCHEMBL1891433 | 0.81 | PKM (0.59) | ALDH1A1PKMCA1CA2HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5059694-A | 3-SUBSTITUTED POLYPYRROLE | NIPPON OIL CO., LTD. (JP) | 1991-10-22 | — | — | US | disclosed |
| EP-0396937-A2 | 3-Substituted polypyrrole | NIPPON OIL CO. LTD. (JP) | 1990-11-14 | — | — | EP | disclosed |