Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.40 |
| ▸ | NPC1 | O15118 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | HPGD | P15428 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.36 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8207976 | 0.77 | ALDH1A1 (0.38) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL4558087 | 0.74 | ALDH1A1 (0.39) | RAB9ANPC1SMN1; SMN2TP53FYN | |
| SCHEMBL8149712 | 0.73 | ALDH1A1 (0.40) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL10818573 | 0.73 | POLB (0.38) | RAB9ANPC1SMN1; SMN2TP53FYN | |
| SCHEMBL11666800 | 0.73 | MEN1 (0.38) | RAB9ANPC1SMN1; SMN2FYNPIK3R1 | |
| SCHEMBL11661579 | 0.72 | HTR1A (0.38) | RAB9ANPC1SMN1; SMN2TP53FYN | |
| SCHEMBL7109711 | 0.72 | BRD4 (0.38) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28730370 | 0.71 | KDM4E (0.32) | RAB9ASMN1; SMN2TP53ALDH1A1HPGD | |
| SCHEMBL9151380 | 0.71 | ACHE (0.35) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3535486 | 0.71 | ALDH1A1 (0.39) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 |
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-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |