Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 2/20 | 0.35 |
| ▸ | TACR1 | P25103 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAPGEF3 | O95398 | 3/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.32 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.32 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429207 | 0.89 | P2RX1 (0.36) | P2RX1TACR1ALDH1A1RAPGEF3RAPGEF4 | |
| SCHEMBL8429040 | 0.88 | P2RX1 (0.34) | P2RX1TACR1ALDH1A1RAPGEF3RAPGEF4 | |
| SCHEMBL8431037 | 0.75 | DHODH (0.37) | ALDH1A1TP53 | |
| SCHEMBL8430960 | 0.75 | MAPT (0.35) | ALDH1A1CYP1A2 | |
| SCHEMBL8431435 | 0.74 | CA1 (0.32) | ALDH1A1TP53 | |
| SCHEMBL8431235 | 0.74 | RXFP1 (0.32) | CYP1A2 | |
| SCHEMBL8429055 | 0.73 | TRPV4 (0.35) | CYP1A2 | |
| SCHEMBL8521199 | 0.71 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL8432441 | 0.71 | KMT2A (0.32) | CYP1A2 | |
| SCHEMBL8431423 | 0.69 | DHODH (0.34) | ALDH1A1CYP1A2 |
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-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | claimed |
| US-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | disclosed |