Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13430323 | 0.80 | NPC1 (0.55) | NPC1SMN1; SMN2RAB9AKDM4EMEN1 | |
| SCHEMBL11073703 | 0.78 | NPC1 (0.56) | NPC1SMN1; SMN2RAB9AKDM4EMEN1 | |
| SCHEMBL2992032 | 0.77 | MEN1 (0.55) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL2988168 | 0.77 | ALDH1A1 (0.59) | NPC1SMN1; SMN2RAB9AKDM4EMEN1 | |
| SCHEMBL2287134 | 0.77 | MAOA (0.68) | SMN1; SMN2RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL5127523 | 0.77 | MEN1 (0.59) | NPC1SMN1; SMN2RAB9AMEN1KMT2A | |
| SCHEMBL15800730 | 0.75 | NPC1 (0.53) | NPC1SMN1; SMN2RAB9AKDM4EMEN1 | |
| SCHEMBL28366955 | 0.75 | CA2 (0.62) | — | |
| SCHEMBL16870374 | 0.75 | CES2 (0.55) | NPC1SMN1; SMN2RAB9AKDM4ECES2 | |
| SCHEMBL296885 | 0.75 | HDAC6 (0.60) | MEN1KMT2ACES2CES1PTPN1 |
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-4438136-A | INHIBITION OF THROMBOXANE ACTIVITY | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1984-03-20 | — | — | US | disclosed |
| EP-0013608-B1 | SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1983-06-15 | — | — | EP | disclosed |