Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11093194 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL1121719 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1HPGDFDPSKDM4E | |
| SCHEMBL9132021 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL13362398 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL96635 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL973079 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL16619850 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL5235917 | 0.76 | MAPT (0.34) | CYP1A1CYP1A2CYP1B1MAPTNPSR1 | |
| SCHEMBL9529019 | 0.75 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1HPGDTRIM24 | |
| SCHEMBL30845321 | 0.75 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1HPGDTRIM24 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0035624-B1 | ALDEHYDES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-07-04 | — | — | EP | claimed |
| EP-0574510-B1 | 2,4-DIARYL-1,3-DITHIOLANES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS | CT FOR INNOVATIVE TECHNOLOGY (US) | 2001-09-05 | — | — | EP | disclosed |
| US-5639782-A | ANTIINFLAMMATORY AGENT; ANTIALLERGENS | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1997-06-17 | — | — | US | disclosed |
| EP-0574510-A4 | NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS | INNOVATIVE TECH CENTER (US) | 1994-07-06 | — | — | EP | disclosed |
| EP-0574510-A1 | NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1993-12-22 | — | — | EP | disclosed |
| WO-1992015294-A1 | NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1992-09-17 | — | — | WO | disclosed |
| EP-0035624-B1 | ALDEHYDES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-07-04 | — | — | EP | disclosed |
| EP-0003212-B1 | 2.4-DIAMINO-5-BENZYLPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-17 | — | — | EP | disclosed |
| EP-0035624-A2 | Aldehydes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-09-16 | — | — | EP | disclosed |
| US-4180578-A | 2,4-Diamino-5-(4'-methylthio)benzylpyrimidenes, compounds, compositions and method of use | Ludwig Heumann, & Co. GmbH (DE) | 1979-12-25 | — | — | US | disclosed |
| EP-0003212-A1 | 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-08-08 | — | — | EP | disclosed |