Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.52 |
| ▸ | FADS1 | O60427 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.47 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 8/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9402399 | 0.85 | NPC1 (0.56) | NPC1HPGDHTTGRM4FADS1 | |
| SCHEMBL11731664 | 0.82 | EGFR (0.46) | NPC1HPGDHTTALDH1A1ABCG2 | |
| SCHEMBL9496969 | 0.82 | NPSR1 (0.59) | NPC1HPGDHTTGRM4RAB9A | |
| SCHEMBL9497949 | 0.82 | LMNA (0.59) | HTTGRM4FADS1ABCG2EGFR | |
| SCHEMBL11732793 | 0.82 | GRM4 (0.52) | HTTGRM4ALDH1A1EGFRERBB2 | |
| SCHEMBL5252795 | 0.81 | DHODH (0.51) | NPC1HTTGRM4ALDH1A1ABCG2 | |
| SCHEMBL6798812 | 0.80 | NPC1 (0.63) | NPC1HPGDHTTGRM4FADS1 | |
| SCHEMBL9494146 | 0.79 | ABCG2 (0.51) | NPC1HPGDHTTGRM4ALDH1A1 | |
| SCHEMBL3955863 | 0.77 | NPC1 (0.66) | NPC1HPGDHTTGRM4FADS1 | |
| SCHEMBL5253023 | 0.77 | ALDH1A1 (0.65) | NPC1ALDH1A1ABCG2ROCK1EGFR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1770093-A1 | Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors | Roche Palo Alto LLC (US) | 2007-04-04 | — | — | EP | disclosed |
| CN-1040327-C | Optionally substituted pyrido [2,3-d] pyrimidine-2,4(1H,3H)-diones and pyrido [2,3-d] pyrimidine-2(1H,3H)-ones | SYNTEX INC (US) | 1998-10-21 | — | — | CN | disclosed |
| EP-0631580-A1 | PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1995-01-04 | — | — | EP | disclosed |
| US-5264437-A | Antiinflammatory agents, immunosuppressants or antiallergens | SYNTEX (U.S.A.) INC. (US) | 1993-11-23 | — | — | US | disclosed |
| CN-1078470-A | Any pyrido [2, the 3-d] pyrimidine-2 that replaces, 4-(1H, 3H)-two ketone and pyrido [2,3-d] pyrimidine-2 (1H, 3H)-ketone | SYNTEX A INC (US) | 1993-11-17 | — | — | CN | disclosed |
| WO-1993019068-A1 | PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1993-09-30 | — | — | WO | disclosed |