Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL40281 | 0.84 | CA1 (0.64) | CA1CA2ALDH1A1TSHRDAO | |
| SCHEMBL27700157 | 0.84 | CA1 (0.64) | CA1CA2ALDH1A1TSHRDAO | |
| Hydrochloric Acid SCHEMBL1597978 | 0.82 | CA1 (0.61) | CA1CA2ALDH1A1TSHRSRD5A2 | |
| Ammonia Solution, Strong SCHEMBL29216630 | 0.82 | CA1 (0.61) | CA1CA2ALDH1A1TSHRDAO | |
| Bromide SCHEMBL1596774 | 0.82 | CA1 (0.61) | CA1CA2ALDH1A1TSHRDAO | |
| SCHEMBL317851 | 0.82 | TSHR (0.59) | CA1CA2ALDH1A1TSHRDAO | |
| SCHEMBL8029236 | 0.82 | CA1 (0.61) | CA1CA2ALDH1A1TSHRDAO | |
| SCHEMBL8023913 | 0.82 | CA1 (0.61) | CA1CA2ALDH1A1TSHRDAO | |
| SCHEMBL22871613 | 0.82 | CYP3A4 (0.57) | CA1CA2TSHRCES2CES1 | |
| SCHEMBL7564278 | 0.82 | TSHR (0.59) | CA1CA2ALDH1A1TSHRDAO |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63303974-A | — | — | None | — | — | JP | disclosed |
| EP-0397697-A4 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? | — | 1991-07-03 | — | — | EP | disclosed |
| EP-0397697-A1 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. | RORER INT OVERSEAS (US) | 1990-11-22 | — | — | EP | disclosed |
| WO-1989004304-A1 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-05-18 | — | — | WO | disclosed |
| JP-S63303974-A | PRODUCTION OF NITROFURAN DERIVATIVE AND ITS SALT | TOOA SEIKATSU KAGAKU KENKYUSHO:KK | 1988-12-12 | — | — | JP | disclosed |