Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL4943902 | 0.81 | SLC22A6 (0.51) | RAB9AHPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL27881765 | 0.77 | NPC1 (0.77) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL7368681 | 0.76 | NPC1 (0.62) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL7375095 | 0.74 | NPC1 (0.60) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL1447444 | 0.73 | NPC1 (0.56) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL7370570 | 0.73 | ATM (0.69) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL341137 | 0.72 | NPC1 (0.73) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL242563 | 0.72 | MRGPRX4 (0.77) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL7366502 | 0.72 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2MEN1 | |
| SCHEMBL7371556 | 0.72 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |