Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24556005 | 0.91 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL25060427 | 0.82 | KDM4E (0.60) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL25711522 | 0.81 | NPC1 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL25068629 | 0.80 | KDM4E (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL21131752 | 0.77 | KDM4E (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL21753766 | 0.77 | NPC1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL23465937 | 0.77 | NPC1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL20959856 | 0.77 | NPC1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL21752785 | 0.77 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL2088155 | 0.77 | NPC1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6130217-A | ANTITUMOR | PFIZER INC (US) | 2000-10-10 | — | — | US | disclosed |
| WO-1994022846-A1 | COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS | PFIZER INC. (US) | 1994-10-13 | — | — | WO | disclosed |