Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | CETP | P11597 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6692571 | 0.99 | SMN1; SMN2 (0.51) | THRASMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL9536383 | 0.88 | ALDH1A1 (0.55) | SMN1; SMN2NPC1ALDH1A1RAB9AHDAC1 | |
| SCHEMBL21596582 | 0.86 | HDAC1 (0.45) | THRAHDAC1HDAC3HDAC2CETP | |
| SCHEMBL21596592 | 0.86 | HDAC1 (0.45) | THRAHDAC1HDAC3HDAC2CETP | |
| SCHEMBL21596589 | 0.86 | HDAC1 (0.45) | THRAHDAC1HDAC3HDAC2CETP | |
| SCHEMBL4406264 | 0.84 | THRA (0.48) | THRASMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL11155511 | 0.83 | TTR (0.44) | THRANPC1ALDH1A1RAB9APTPN1 | |
| SCHEMBL7947562 | 0.83 | KDM4E (0.46) | SMN1; SMN2NPC1ALDH1A1RAB9AHDAC1 | |
| SCHEMBL10498007 | 0.82 | CES2 (0.53) | ALDH1A1MAPTTP53TSHR | |
| SCHEMBL9695930 | 0.82 | CES2 (0.53) | ALDH1A1MAPTTP53TSHR |
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-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |