Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | RARG | P13631 | 6/20 | 0.44 |
| ▸ | RARB | P10826 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8040507 | 0.76 | RAB9A (0.49) | ALDH1A1MAPTNPSR1RAB9AATM | |
| SCHEMBL8040495 | 0.76 | KMT2A (0.48) | ALDH1A1L3MBTL1MAPTLMNARAB9A | |
| SCHEMBL8876005 | 0.76 | MEN1 (0.44) | ALDH1A1POLBMAPTHTTNPSR1 | |
| SCHEMBL8876007 | 0.76 | MEN1 (0.44) | ALDH1A1POLBMAPTHTTNPSR1 | |
| SCHEMBL8038684 | 0.75 | NAMPT (0.60) | ALDH1A1TDP1L3MBTL1RARGMAPT | |
| SCHEMBL2554589 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TDP1POLBGLAL3MBTL1 | |
| SCHEMBL6885182 | 0.72 | MAPT (0.54) | ALDH1A1POLBGLAL3MBTL1MAPT | |
| SCHEMBL7577513 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TDP1POLBGLAL3MBTL1 | |
| Terephthalic Acid SCHEMBL6654100 | 0.72 | TSHR (0.60) | ALDH1A1MAPTLMNARAB9ANPC1 | |
| SCHEMBL2743573 | 0.70 | SRD5A2 (0.71) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0440324-B1 | Substituted beta-diketones and their use in the treatment of inflammatory bowel disease | ORION YHTYMAE OY (FI) | 2000-04-12 | — | — | EP | claimed |
| EP-0440324-A2 | Substituted beta-diketones and their use | ORION-YHTYMÀ OY (FI) | 1991-08-07 | — | — | EP | claimed |
| EP-0440324-B1 | Substituted beta-diketones and their use in the treatment of inflammatory bowel disease | ORION YHTYMAE OY (FI) | 2000-04-12 | — | — | EP | disclosed |
| US-5292771-A | Treating inflammatory bowel disease | ORION-YHTYMA OY (FI) | 1994-03-08 | — | — | US | disclosed |
| US-5185370-A | Substituted β-diketones and their use | ORION-YHTYMA OY (FI) | 1993-02-09 | — | — | US | disclosed |
| EP-0440324-A2 | Substituted beta-diketones and their use | ORION-YHTYMÀ OY (FI) | 1991-08-07 | — | — | EP | disclosed |