Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | SQLE | Q14534 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | FNTA | P49354 | 3/20 | 0.47 |
| ▸ | FNTB | P49356 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2965140 | 1.00 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL2965141 | 1.00 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL28846647 | 0.84 | NR1I2 (0.51) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL30233722 | 0.84 | NR1I2 (0.51) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL16387740 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL10623596 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL10623599 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EATMSQLEKMT2A | |
| Citral SCHEMBL9246850 | 0.79 | ALDH1A1 (0.88) | ALDH1A1KDM4EATMSQLEKMT2A | |
| Citral SCHEMBL9246845 | 0.79 | ALDH1A1 (0.88) | ALDH1A1KDM4EATMSQLEKMT2A | |
| SCHEMBL12295115 | 0.78 | KMT2A (0.56) | ALDH1A1KDM4EATMSQLEKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5834433-A | ANTITUMOR AND -CARCINOMA AGENTS; SMALL CELL LUNG AND PROSTATIC CARCINOMA; ANTIMIOTIC AND ANTISECRETORY AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1998-11-10 | — | — | US | disclosed |
| EP-0468497-B1 | Peptide-antagonists of bombesin/GRP | MERRELL PHARMA INC (US) | 1997-05-28 | — | — | EP | disclosed |
| EP-0468497-A2 | Peptide-antagonists of bombesin/GRP | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-29 | — | — | EP | disclosed |