Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL8911150 | 0.85 | RAB9A (0.57) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| SCHEMBL8910153 | 0.83 | KMT2A (0.56) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A | |
| E1501 SCHEMBL27585125 | 0.75 | ALDH1A1 (0.96) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| E1501 SCHEMBL28201296 | 0.73 | ALDH1A1 (1.00) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| E1501 SCHEMBL901210 | 0.73 | ALDH1A1 (1.00) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| E1501 SCHEMBL14031569 | 0.73 | ALDH1A1 (1.00) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| E1501 SCHEMBL43745 | 0.73 | ALDH1A1 (1.00) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| SCHEMBL20154166 | 0.72 | KMT2A (0.54) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| SCHEMBL17965761 | 0.72 | TDP1 (0.61) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 | |
| E1501 SCHEMBL183528 | 0.72 | ALDH1A1 (0.96) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1 |
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-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | disclosed |
| EP-0651750-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |