Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10793079 | 0.82 | PARP1 (0.70) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL3753879 | 0.82 | PARP1 (0.68) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL13799999 | 0.78 | PARP1 (1.00) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL21335076 | 0.78 | CES2 (0.56) | PARP1SMN1; SMN2TDP1L3MBTL1POLB | |
| SCHEMBL12798 | 0.78 | PARP1 (1.00) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL12287066 | 0.76 | PARP1 (0.61) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL4376573 | 0.76 | PARP1 (0.96) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL31529061 | 0.76 | CES2 (0.65) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL5089078 | 0.76 | PARP1 (0.96) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL29922789 | 0.76 | PARP1 (0.61) | PARP1HDAC8HDAC6SMN1; SMN2HPGD |
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-2019113071-A1 | COMPOSITIONS AND METHODS FOR TREATING ALK-MEDIATED CANCER | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2019-06-13 | — | — | WO | disclosed |