Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL28599658 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL27211775 | 0.80 | TDP1 (0.49) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL27211734 | 0.80 | TDP1 (0.49) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL27211827 | 0.80 | TDP1 (0.49) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL25197868 | 0.79 | PAM (0.46) | ALDH1A1TDP1PTGS2GLA | |
| SCHEMBL2734711 | 0.79 | PAM (0.46) | ALDH1A1TDP1PTGS2GLA | |
| SCHEMBL3834966 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| Benzaldehyde SCHEMBL9745994 | 0.76 | LTA4H (0.46) | ALDH1A1MEN1KMT2ATDP1PTGS2 | |
| SCHEMBL24450098 | 0.76 | NAAA (0.51) | ALDH1A1TDP1LMNAL3MBTL1RAB9A | |
| Styrene SCHEMBL2734707 | 0.76 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ATDP1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6004954-A | TREATING GRAFT-VERSUS-HOST DISEASE AND AUTOIMMUNE DISEASES; ANTIALLERGENS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-21 | — | — | US | disclosed |