Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFD | P00746 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.47 |
| ▸ | GGT1 | P19440 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27366749 | 0.84 | PKM (0.56) | KDM4EALDH1A1TSHRHPGDTDP1 | |
| SCHEMBL3478112 | 0.83 | TSHR (0.59) | ALDH1A1TSHRTDP1CYP2C19PKM | |
| SCHEMBL8671212 | 0.83 | TSHR (0.59) | ALDH1A1TSHRTDP1CYP2C19PKM | |
| SCHEMBL3107602 | 0.82 | TSHR (0.50) | ALDH1A1TSHRTDP1MAPK1PKM | |
| SCHEMBL8683506 | 0.81 | PKM (0.56) | KDM4EALDH1A1TSHRHPGDTDP1 | |
| SCHEMBL11130469 | 0.80 | CFD (0.58) | CFDKDM4EHSD17B10ALDH1A1TSHR | |
| SCHEMBL12362295 | 0.79 | MEN1 (0.43) | KDM4EHSD17B10ALDH1A1HPGDTDP1 | |
| SCHEMBL27862571 | 0.78 | TSHR (0.50) | KDM4EALDH1A1TSHRHPGDTDP1 | |
| SCHEMBL19138866 | 0.77 | CFD (0.54) | CFDKDM4EHSD17B10ALDH1A1TSHR | |
| SCHEMBL4964088 | 0.77 | TDP1 (0.57) | KDM4EALDH1A1TSHRTDP1BLM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5756810-A | Process of preparing 3-nitro benzoate compounds in lower alkanol | PHARMACOPEIA, INC. (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0751765-A4 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA INC (US) | 1997-05-28 | — | — | EP | disclosed |
| US-5618825-A | ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS | PHARMACOPEIA, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0751765-A1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA, INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995024186-A1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA, INC. (US) | 1995-09-14 | — | — | WO | disclosed |