Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PARP10 | Q53GL7 | 7/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.54 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.54 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.54 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9807211 | 0.92 | ALDH1A1 (0.65) | ALDH1A1MAPK1TDP1PARP10RAB9A | |
| SCHEMBL13270530 | 0.90 | TNFRSF1A (0.47) | ALDH1A1MAPK1TDP1PARP10HPGD | |
| SCHEMBL13927318 | 0.87 | ALDH1A1 (0.64) | ALDH1A1MAPK1TDP1PARP10RAB9A | |
| SCHEMBL222221 | 0.84 | ALDH1A1 (0.74) | ALDH1A1MAPK1TDP1HPGDRAB9A | |
| SCHEMBL1641142 | 0.82 | CES2 (0.61) | ALDH1A1PARP10HPGDRAB9AKMT2A | |
| Water SCHEMBL11592745 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAPK1TDP1HPGDRAB9A | |
| Water SCHEMBL11592742 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAPK1TDP1HPGDRAB9A | |
| Water SCHEMBL3047437 | 0.80 | F3 (0.59) | ALDH1A1PARP10HPGDRAB9AKMT2A | |
| SCHEMBL31395433 | 0.78 | HDAC3 (0.43) | ALDH1A1MAPK1TDP1PARP10HPGD | |
| Xenygloxal SCHEMBL2110325 | 0.77 | ALDH1A1 (0.64) | ALDH1A1MAPK1TDP1HPGDRAB9A |
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-4087409-A | USED TO SPIN FIBERS | MONSANTO COMPANY (US) | 1978-05-02 | — | — | US | disclosed |
| US-4082806-A | PREPARATION OF TETRAKETONES | WRIGHT STATE UNIVERSITY (US) | 1978-04-04 | — | — | US | disclosed |