Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL8542408 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL133237 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL27474015 | 0.95 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL27838107 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL2545621 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Heptane SCHEMBL4621147 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Heptane SCHEMBL4126646 | 0.91 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL28081841 | 0.91 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL6419639 | 0.91 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Ethyl Acetate SCHEMBL5369947 | 0.91 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRFAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212096-A2 | DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME | Brenner, Sydney (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001013958-A2 | DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME | BRENNER SYDNEY (US) | 2001-03-01 | — | — | WO | disclosed |